BAS 01365643
TL;DR: BAS 01365643 (CAS 332357-64-9) is a chemical compound with molecular formula C17H15ClN6O3S and molecular weight 418.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-(anilinomethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-(2-chloro-4-nitrophenyl)acetamide
Also Known As: BAS 01365643, N-(2-Chloro-4-nitrophenyl)-2-((3-((phenylamino)methyl)-1H-1,2,4-triazol-5-yl)thio)acetamide, 2-[[5-(anilinomethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-(2-chloro-4-nitrophenyl)acetamide, 2-{[3-(anilinomethyl)-1H-1,2,4-triazol-5-yl]sulfanyl}-N-{2-chloro-4-nitrophenyl}acetamide, N-(2-Chloro-4-nitro-phenyl)-2-(5-phenylaminomethyl-2H-[1,2,4]triazol-3-ylsulfanyl)-acetamide
| Molecular Formula | C17H15ClN6O3S |
|---|---|
| Molecular Weight | 418.06 g/mol |
| LogP | 3.7092 |
| Topological Polar Surface Area | 125.84 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 418.0615 |
| Heavy Atoms | 28 |
| Complexity | 982.0339 |
Chemical Identifiers
| CAS Number | 332357-64-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)NCC2=NC(=NN2)SCC(=O)NC3=C(C=C(C=C3)[N+](=O)[O-])Cl |
Product Overview
BAS 01365643 (CAS 332357-64-9), with molecular formula C17H15ClN6O3S and molecular weight 418.06 g/mol. IUPAC: 2-[[5-(anilinomethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-(2-chloro-4-nitrophenyl)acetamide.
Chemical Property Profile of BAS 01365643
Property Insights of BAS 01365643
The XLogP value of 3.7092 indicates that BAS 01365643 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 125.84 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 01365643. Following Lipinski's Rule of Five, BAS 01365643 has 3 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 BAS 01365643?
The CAS number of BAS 01365643 is 332357-64-9.
What is the molecular formula of BAS 01365643?
The molecular formula of BAS 01365643 is C17H15ClN6O3S.
What is the molecular weight of BAS 01365643?
The molecular weight of BAS 01365643 is 418.06 g/mol.
Where can I buy BAS 01365643?
You can request a quote for BAS 01365643 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 01365643?
Yes, KEHONG BIO provides custom synthesis services for BAS 01365643 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.