AB00117032-01
TL;DR: AB00117032-01 (CAS 431933-79-8) is a chemical compound with molecular formula C19H15ClN2O6S and molecular weight 434.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5E)-5-[(3-chloro-5-ethoxy-4-hydroxyphenyl)methylidene]-3-[(3-nitrophenyl)methyl]-1,3-thiazolidine-2,4-dione
Also Known As: AB00117032-01, (5E)-5-(3-chloro-5-ethoxy-4-hydroxybenzylidene)-3-(3-nitrobenzyl)-1,3-thiazolidine-2,4-dione, (5E)-5-[(3-chloro-5-ethoxy-4-hydroxyphenyl)methylidene]-3-[(3-nitrophenyl)methyl]-1,3-thiazolidine-2,4-dione
| Molecular Formula | C19H15ClN2O6S |
|---|---|
| Molecular Weight | 434.03 g/mol |
| LogP | 4.589 |
| Topological Polar Surface Area | 109.98 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 434.03394 |
| Heavy Atoms | 29 |
| Complexity | 1039.3546 |
Chemical Identifiers
| CAS Number | 431933-79-8 |
|---|---|
| SMILES | CCOC1=C(C(=CC(=C1)/C=C/2\C(=O)N(C(=O)S2)CC3=CC(=CC=C3)[N+](=O)[O-])Cl)O |
Product Overview
AB00117032-01 (CAS 431933-79-8), with molecular formula C19H15ClN2O6S and molecular weight 434.03 g/mol. IUPAC: (5E)-5-[(3-chloro-5-ethoxy-4-hydroxyphenyl)methylidene]-3-[(3-nitrophenyl)methyl]-1,3-thiazolidine-2,4-dione.
Chemical Property Profile of AB00117032-01
Property Insights of AB00117032-01
The XLogP value of 4.589 indicates that AB00117032-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 109.98 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00117032-01. Following Lipinski's Rule of Five, AB00117032-01 has 1 hydrogen bond donor(s) and 7 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 AB00117032-01?
The CAS number of AB00117032-01 is 431933-79-8.
What is the molecular formula of AB00117032-01?
The molecular formula of AB00117032-01 is C19H15ClN2O6S.
What is the molecular weight of AB00117032-01?
The molecular weight of AB00117032-01 is 434.03 g/mol.
Where can I buy AB00117032-01?
You can request a quote for AB00117032-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00117032-01?
Yes, KEHONG BIO provides custom synthesis services for AB00117032-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.