AB00112708-01
TL;DR: AB00112708-01 (CAS 346459-08-3) is a chemical compound with molecular formula C16H11N3OS2 and molecular weight 325.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(6Z)-3-(4-methylphenyl)-6-(thiophen-2-ylmethylidene)-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one
Also Known As: AB00112708-01, A2476/0105165, (6Z)-3-(4-methylphenyl)-6-(thiophen-2-ylmethylidene)-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one, (Z)-6-(thiophen-2-ylmethylene)-3-(p-tolyl)thiazolo[2,3-c][1,2,4]triazol-5(6H)-one, (6Z)-3-(4-methylphenyl)-6-(thiophen-2-ylmethylidene)[1,3]thiazolo[2,3-c][1,2,4]triazol-5(6H)-one
| Molecular Formula | C16H11N3OS2 |
|---|---|
| Molecular Weight | 325.03 g/mol |
| LogP | 2.73562 |
| Topological Polar Surface Area | 47.26 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 325.03436 |
| Heavy Atoms | 22 |
| Complexity | 1043.6487 |
Chemical Identifiers
| CAS Number | 346459-08-3 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C2=NN=C3N2C(=O)/C(=C/C4=CC=CS4)/S3 |
Product Overview
AB00112708-01 (CAS 346459-08-3), with molecular formula C16H11N3OS2 and molecular weight 325.03 g/mol. IUPAC: (6Z)-3-(4-methylphenyl)-6-(thiophen-2-ylmethylidene)-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one.
Chemical Property Profile of AB00112708-01
Property Insights of AB00112708-01
The XLogP value of 2.73562 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AB00112708-01. With a topological polar surface area (TPSA) of 47.26 Ų, AB00112708-01 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AB00112708-01 has 0 hydrogen bond donor(s) and 5 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 AB00112708-01?
The CAS number of AB00112708-01 is 346459-08-3.
What is the molecular formula of AB00112708-01?
The molecular formula of AB00112708-01 is C16H11N3OS2.
What is the molecular weight of AB00112708-01?
The molecular weight of AB00112708-01 is 325.03 g/mol.
Where can I buy AB00112708-01?
You can request a quote for AB00112708-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00112708-01?
Yes, KEHONG BIO provides custom synthesis services for AB00112708-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.