AB00098161-01
TL;DR: AB00098161-01 (CAS 374608-72-7) is a chemical compound with molecular formula C23H17N3O4S and molecular weight 431.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(Z)-3-(2,4-dimethoxyanilino)-2-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]prop-2-enenitrile
Also Known As: AB00098161-01, AB00098161-02, (2Z)-3-[(2,4-dimethoxyphenyl)amino]-2-[4-(2-oxo-2H-chromen-3-yl)-1,3-thiazol-2-yl]prop-2-enenitrile, F0760-1671, (Z)-3-((2,4-dimethoxyphenyl)amino)-2-(4-(2-oxo-2H-chromen-3-yl)thiazol-2-yl)acrylonitrile
| Molecular Formula | C23H17N3O4S |
|---|---|
| Molecular Weight | 431.09 g/mol |
| LogP | 4.91028 |
| Topological Polar Surface Area | 97.38 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 431.09396 |
| Heavy Atoms | 31 |
| Complexity | 1381.5934 |
Chemical Identifiers
| CAS Number | 374608-72-7 |
|---|---|
| SMILES | COC1=CC(=C(C=C1)N/C=C(/C#N)\C2=NC(=CS2)C3=CC4=CC=CC=C4OC3=O)OC |
Product Overview
AB00098161-01 (CAS 374608-72-7), with molecular formula C23H17N3O4S and molecular weight 431.09 g/mol. IUPAC: (Z)-3-(2,4-dimethoxyanilino)-2-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]prop-2-enenitrile.
Chemical Property Profile of AB00098161-01
Property Insights of AB00098161-01
The XLogP value of 4.91028 indicates that AB00098161-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 97.38 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00098161-01. Following Lipinski's Rule of Five, AB00098161-01 has 1 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AB00098161-01?
The CAS number of AB00098161-01 is 374608-72-7.
What is the molecular formula of AB00098161-01?
The molecular formula of AB00098161-01 is C23H17N3O4S.
What is the molecular weight of AB00098161-01?
The molecular weight of AB00098161-01 is 431.09 g/mol.
Where can I buy AB00098161-01?
You can request a quote for AB00098161-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00098161-01?
Yes, KEHONG BIO provides custom synthesis services for AB00098161-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.