AB00106696-01
TL;DR: AB00106696-01 (CAS 352691-76-0) is a chemical compound with molecular formula C11H8N2O5S2 and molecular weight 311.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5Z)-5-[(4-hydroxy-3-methoxy-2-nitrophenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
Also Known As: AB00106696-01, (5Z)-5-[(4-hydroxy-3-methoxy-2-nitrophenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one, 5-{4-hydroxy-2-nitro-3-methoxybenzylidene}-2-thioxo-1,3-thiazolidin-4-one, 5-(4-hydroxy-3-methoxy-2-nitrobenzylidene)-2-thioxo-1,3-thiazolidin-4-one
| Molecular Formula | C11H8N2O5S2 |
|---|---|
| Molecular Weight | 311.99 g/mol |
| LogP | 1.7978 |
| Topological Polar Surface Area | 101.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 311.98746 |
| Heavy Atoms | 20 |
| Complexity | 656.45874 |
Chemical Identifiers
| CAS Number | 352691-76-0 |
|---|---|
| SMILES | COC1=C(C=CC(=C1[N+](=O)[O-])/C=C\2/C(=O)NC(=S)S2)O |
Product Overview
AB00106696-01 (CAS 352691-76-0), with molecular formula C11H8N2O5S2 and molecular weight 311.99 g/mol. IUPAC: (5Z)-5-[(4-hydroxy-3-methoxy-2-nitrophenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one.
Chemical Property Profile of AB00106696-01
Property Insights of AB00106696-01
The XLogP value of 1.7978 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AB00106696-01. The TPSA of 101.7 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00106696-01. Following Lipinski's Rule of Five, AB00106696-01 has 2 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 AB00106696-01?
The CAS number of AB00106696-01 is 352691-76-0.
What is the molecular formula of AB00106696-01?
The molecular formula of AB00106696-01 is C11H8N2O5S2.
What is the molecular weight of AB00106696-01?
The molecular weight of AB00106696-01 is 311.99 g/mol.
Where can I buy AB00106696-01?
You can request a quote for AB00106696-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00106696-01?
Yes, KEHONG BIO provides custom synthesis services for AB00106696-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.