CAS Number18962-05-5
Synonyms4-Isopropoxybenzaldehyde; p-isopropoxybenzaldehyde; p-isopropyloxy benzaldehyde; 4-ISOPROPOXY-1-FORMYLBENZENE; 4-iso-propyloxybenzaldehyde; MFCD00052357
Molecular FormulaC10H12O2
Molecular Weight164.2
Purity98.00%
Density1.036
Boiling Point108-110 °C (5 mmHg)
| Chemical & Physical Properties | |
|---|---|
| CAS Number | 18962-05-5 |
| Catalog No. | 2A-9077643 |
| Chinese Name | 4-异丙氧基苯甲醛 |
| Synonyms | 4-Isopropoxybenzaldehyde; p-isopropoxybenzaldehyde; p-isopropyloxy benzaldehyde; 4-ISOPROPOXY-1-FORMYLBENZENE; 4-iso-propyloxybenzaldehyde; MFCD00052357 |
| Molecular Formula | C10H12O2 |
| Molecular Weight | 164.2 |
| Purity | 98.00 |
| Density | 1.036 |
| Boiling Point | 108-110 °C (5 mmHg) |
| Storage Condition | Sealed at room temperature, protected from light, |
| Application | ALDH1A3-IN-3 (compound 16) is a potent inhibitor of ALDH1A3 with an IC50 of 0.26μM. ALDH1A3-IN-3 is also a good ALDH3A1 substrate. ALDH1A3-IN-3 can be used in prostate cancer research [1]. |
| HTC | 2912499000 |
| PubChem ID | 113088 |
| SMILES | CC(C)Oc1ccc(C=O)cc1 |
| InChI | InChI=1S/C10H12O2/c1-8(2)12-10-5-3-9(7-11)4-6-10/h3-8H,1-2H3 |
| InChI Key | WDANSDASCKBVKH-UHFFFAOYSA-N |
| Bioactivity | ALDH1A3-IN-3 (compound 16) is a potent inhibitor of ALDH1A3, with an IC50 of 0.26 μM. ALDH1A3-IN-3 is also a good ALDH3A1 substrate. ALDH1A3-IN-3 can be used for the research of prostate cancer[1]. Related Catalog Signaling Pathways >> Metabolic Enzyme/Protease >> Aldehyde Dehydrogenase (ALDH) Research Areas >> Cancer Target IC50: 0.26 μM (ALDH1A3)[1] References [1]. Ibrahim AIM, et, al. Expansion of the 4-(Diethylamino)benzaldehyde Scaffold to Explore the Impact on Aldehyde Dehydrogenase Activity and Antiproliferative Activity in Prostate Cancer. J Med Chem. 2022 Mar 10;65(5):3833-3848. Chemical & Physical Properties Density 1.036 Boiling Point 108-110 °C (5 mmHg) Molecular Formula C10H12O2 Molecular Weight 164.20100 Flash Point 108-110°C/5mm Exact Mass 164.08400 PSA 26.30000 LogP 2.28630 Vapour Pressure 0.00982mmHg at 25°C Index of Refraction 1.545-1.547 InChIKey WDANSDASCKBVKH-UHFFFAOYSA-N SMILES CC(C)Oc1ccc(C=O)cc1 |
| Use of | Properties Name 4-propan-2-yloxybenzaldehyde Synonym More Synonyms 4-isopropoxybenzaldehyde Biological Activity Related Catalog Signaling Pathways >> Metabolic Enzyme/Protease >> Aldehyde Dehydrogenase (ALDH) Research Areas >> Cancer IC50: 0.26 μM (ALDH1A3)[1] References [1]. Ibrahim AIM, et, al. Expansion of the 4-(Diethylamino)benzaldehyde Scaffold to Explore the Impact on Aldehyde Dehydrogenase Activity and Antiproliferative Activity in Prostate Cancer. J Med Chem. 2022 Mar 10;65(5):3833-3848. Chemical & Physical Properties Molecular Formula C10H12O2 Exact Mass 164.08400 PSA 26.30000 LogP 2.28630 Index of Refraction 1.545-1.547 InChIKey WDANSDASCKBVKH-UHFFFAOYSA-N |
| Tax Rebate | 9.0% |
| Supervision | None. MFN tariff: 5.5%. Ordinary tariff: 30.0% |
| Transport Info | Product name: Summary 2912499000. other aldehyde-ethers, aldehyde-phenols and aldehydes with other oxygen function. VAT:17.0%. Tax rebate rate:9.0%. . MFN tariff:5.5%. General tariff:30.0% |
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