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BIO-32546 structure, CAS 1548743-66-3

BIO-32546

CAS Number1548743-66-3

Synonymsbio-32546

Molecular FormulaC28H31F6NO3

Molecular Weight543.54100

Purity

Density1.328±0.06 g/cm3(Predicted)

Boiling Point586.9±50.0 °C(Predicted)

Melting Point

Flash Point

Appearance

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Symbol

Signal Word

Cat. No.: 2A-1170273 Purity:
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Quality Control of [ 1548743-66-3 ] SDS Specification MoL

COA NMR CNMR HPLC LC-MS
Chemical & Physical Properties
CAS Number1548743-66-3
Catalog No.2A-1170273
Chinese NameBIO-32546
Synonymsbio-32546
Molecular FormulaC28H31F6NO3
Molecular Weight543.54100
Density1.328±0.06 g/cm3(Predicted)
Boiling Point586.9±50.0 °C(Predicted)
Storage Condition-20°C
ApplicationBIO-32546 (example 12b, S-isomer) is a modulator of autotaxin (ATX), information comes from patent US20170158687A1.
PubChem ID240492057
SMILESCC(c1ccc2ccc(OC3CCC(C(F)(F)F)CC3)c(C(F)(F)F)c2c1)N1C2CCC1CC(C(=O)O)C2
InChIInChI=1S/C28H31F6NO3/c1-15(35-20-7-8-21(35)13-18(12-20)26(36)37)17-3-2-16-4-11-24(25(23(16)14-17)28(32,33)34)38-22-9-5-19(6-10-22)27(29,30)31/h2-4,11,14-15,18-22H,5-10,12-13H2,1H3,(H,36,37)/t15-,18?,19?,20?,21?,22?/m0/s1
InChI KeyPZASAAIJIFDWSB-CKPDSHCKSA-N
Transport InfoProduct name: BIO-32546
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