AB00094992-01
TL;DR: AB00094992-01 (CAS 327033-16-9) is a chemical compound with molecular formula C17H11ClN2O5S2 and molecular weight 421.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5E)-3-(3-chlorophenyl)-5-[(4-hydroxy-3-methoxy-5-nitrophenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
Also Known As: AB00094992-01, (5E)-3-(3-chlorophenyl)-5-[(4-hydroxy-3-methoxy-5-nitrophenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one, 3-(3-chlorophenyl)-5-(4-hydroxy-3-methoxy-5-nitrobenzylidene)-2-thioxo-1,3-thiazolidin-4-one, 4-Thiazolidinone,3-(3-chlorophenyl)-5-[(4-hydroxy-3-methoxy-5-nitrophenyl)methylene]-2-thioxo-
| Molecular Formula | C17H11ClN2O5S2 |
|---|---|
| Molecular Weight | 421.98 g/mol |
| LogP | 4.3682 |
| Topological Polar Surface Area | 92.91 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 421.9798 |
| Heavy Atoms | 27 |
| Complexity | 1008.8134 |
Chemical Identifiers
| CAS Number | 327033-16-9 |
|---|---|
| SMILES | COC1=CC(=CC(=C1O)[N+](=O)[O-])/C=C/2\C(=O)N(C(=S)S2)C3=CC(=CC=C3)Cl |
Product Overview
AB00094992-01 (CAS 327033-16-9), with molecular formula C17H11ClN2O5S2 and molecular weight 421.98 g/mol. IUPAC: (5E)-3-(3-chlorophenyl)-5-[(4-hydroxy-3-methoxy-5-nitrophenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one.
Chemical Property Profile of AB00094992-01
Property Insights of AB00094992-01
The XLogP value of 4.3682 indicates that AB00094992-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 92.91 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00094992-01. Following Lipinski's Rule of Five, AB00094992-01 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 AB00094992-01?
The CAS number of AB00094992-01 is 327033-16-9.
What is the molecular formula of AB00094992-01?
The molecular formula of AB00094992-01 is C17H11ClN2O5S2.
What is the molecular weight of AB00094992-01?
The molecular weight of AB00094992-01 is 421.98 g/mol.
Where can I buy AB00094992-01?
You can request a quote for AB00094992-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00094992-01?
Yes, KEHONG BIO provides custom synthesis services for AB00094992-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.