AB00098196-01
TL;DR: AB00098196-01 (CAS 5813-59-2) is a chemical compound with molecular formula C21H18ClN3O3S and molecular weight 427.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(Z)-3-(4-chloro-2,5-dimethoxyanilino)-2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]prop-2-enenitrile
Also Known As: AB00098196-01, (Z)-3-(4-chloro-2,5-dimethoxyanilino)-2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]prop-2-enenitrile, 3-[(4-chloro-2,5-dimethoxyphenyl)amino]-2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]acrylonitrile, (2Z)-3-(4-Chloro-2,5-dimethoxyanilino)-2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]prop-2-enenitrile, 3-[(4-chloro-2,5-dimethoxy-phenyl)amino]-2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]prop-2-enenitrile
| Molecular Formula | C21H18ClN3O3S |
|---|---|
| Molecular Weight | 427.08 g/mol |
| LogP | 5.46588 |
| Topological Polar Surface Area | 76.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 427.07574 |
| Heavy Atoms | 29 |
| Complexity | 1071.7656 |
Chemical Identifiers
| CAS Number | 5813-59-2 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C2=CSC(=N2)/C(=C\NC3=CC(=C(C=C3OC)Cl)OC)/C#N |
Product Overview
AB00098196-01 (CAS 5813-59-2), with molecular formula C21H18ClN3O3S and molecular weight 427.08 g/mol. IUPAC: (Z)-3-(4-chloro-2,5-dimethoxyanilino)-2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]prop-2-enenitrile.
Chemical Property Profile of AB00098196-01
Property Insights of AB00098196-01
The XLogP value of 5.46588 indicates that AB00098196-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.4 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00098196-01. Following Lipinski's Rule of Five, AB00098196-01 has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AB00098196-01?
The CAS number of AB00098196-01 is 5813-59-2.
What is the molecular formula of AB00098196-01?
The molecular formula of AB00098196-01 is C21H18ClN3O3S.
What is the molecular weight of AB00098196-01?
The molecular weight of AB00098196-01 is 427.08 g/mol.
Where can I buy AB00098196-01?
You can request a quote for AB00098196-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00098196-01?
Yes, KEHONG BIO provides custom synthesis services for AB00098196-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.