BAS 02171140
TL;DR: BAS 02171140 (CAS 493013-85-7) is a chemical compound with molecular formula C21H15Cl2N5OS and molecular weight 455.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2,5-dichlorophenyl)-2-[(4-phenyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
Also Known As: BAS 02171140, N-(2,5-dichlorophenyl)-2-{[4-phenyl-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide, N-(2,5-dichlorophenyl)-2-(4-phenyl-5-(3-pyridyl)(1,2,4-triazol-3-ylthio))aceta mide, N-(2,5-dichlorophenyl)-2-[(4-phenyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide, N-(2,5-dichlorophenyl)-2-((4-phenyl-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl)thio)acetamide
| Molecular Formula | C21H15Cl2N5OS |
|---|---|
| Molecular Weight | 455.04 g/mol |
| LogP | 5.3669 |
| Topological Polar Surface Area | 72.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 455.03745 |
| Heavy Atoms | 30 |
| Complexity | 1168.7524 |
Chemical Identifiers
| CAS Number | 493013-85-7 |
|---|---|
| SMILES | C1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NC3=C(C=CC(=C3)Cl)Cl)C4=CN=CC=C4 |
Product Overview
BAS 02171140 (CAS 493013-85-7), with molecular formula C21H15Cl2N5OS and molecular weight 455.04 g/mol. IUPAC: N-(2,5-dichlorophenyl)-2-[(4-phenyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide.
Chemical Property Profile of BAS 02171140
Property Insights of BAS 02171140
The XLogP value of 5.3669 indicates that BAS 02171140 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.7 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 02171140. Following Lipinski's Rule of Five, BAS 02171140 has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 02171140?
The CAS number of BAS 02171140 is 493013-85-7.
What is the molecular formula of BAS 02171140?
The molecular formula of BAS 02171140 is C21H15Cl2N5OS.
What is the molecular weight of BAS 02171140?
The molecular weight of BAS 02171140 is 455.04 g/mol.
Where can I buy BAS 02171140?
You can request a quote for BAS 02171140 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 02171140?
Yes, KEHONG BIO provides custom synthesis services for BAS 02171140 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.