AB00716947-01
TL;DR: AB00716947-01 (CAS 172844-87-0) is a chemical compound with molecular formula C15H9Cl2N5O2S and molecular weight 392.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(E)-(2-chloro-5-nitrophenyl)methylideneamino]-3-(4-chlorophenyl)-1H-1,2,4-triazole-5-thione
Also Known As: AB00716947-01, 4-{[(E)-(2-chloro-5-nitrophenyl)methylidene]amino}-5-(4-chlorophenyl)-4H-1,2,4-triazole-3-thiol, (E)-4-((2-chloro-5-nitrobenzylidene)amino)-5-(4-chlorophenyl)-4H-1,2,4-triazole-3-thiol, 4-[(1E)-2-(2-chloro-5-nitrophenyl)-1-azavinyl]-5-(4-chlorophenyl)-1,2,4-triazo le-3-thiol, 4-[(E)-(2-chloro-5-nitrophenyl)methylideneamino]-3-(4-chlorophenyl)-1H-1,2,4-triazole-5-thione
| Molecular Formula | C15H9Cl2N5O2S |
|---|---|
| Molecular Weight | 392.99 g/mol |
| LogP | 4.70489 |
| Topological Polar Surface Area | 89.11 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 392.9854 |
| Heavy Atoms | 25 |
| Complexity | 1027.1461 |
Chemical Identifiers
| CAS Number | 172844-87-0 |
|---|---|
| SMILES | C1=CC(=CC=C1C2=NNC(=S)N2/N=C/C3=C(C=CC(=C3)[N+](=O)[O-])Cl)Cl |
Product Overview
AB00716947-01 (CAS 172844-87-0), with molecular formula C15H9Cl2N5O2S and molecular weight 392.99 g/mol. IUPAC: 4-[(E)-(2-chloro-5-nitrophenyl)methylideneamino]-3-(4-chlorophenyl)-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of AB00716947-01
Property Insights of AB00716947-01
The XLogP value of 4.70489 indicates that AB00716947-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 89.11 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00716947-01. Following Lipinski's Rule of Five, AB00716947-01 has 1 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 AB00716947-01?
The CAS number of AB00716947-01 is 172844-87-0.
What is the molecular formula of AB00716947-01?
The molecular formula of AB00716947-01 is C15H9Cl2N5O2S.
What is the molecular weight of AB00716947-01?
The molecular weight of AB00716947-01 is 392.99 g/mol.
Where can I buy AB00716947-01?
You can request a quote for AB00716947-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00716947-01?
Yes, KEHONG BIO provides custom synthesis services for AB00716947-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.