BAS 01516512
TL;DR: BAS 01516512 (CAS 332376-29-1) is a chemical compound with molecular formula C22H18ClN5O2S and molecular weight 451.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(5-chloro-2-methoxyphenyl)-2-[(4-phenyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
Also Known As: BAS 01516512, N-(5-Chloro-2-methoxyphenyl)-2-((4-phenyl-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl)thio)acetamide, N-(5-Chloro-2-methoxy-phenyl)-2-(4-phenyl-5-pyridin-4-yl-4H-[1,2,4]triazol-3-ylsulfanyl)-acetamide, N-(5-chloro-2-methoxyphenyl)-2-(4-phenyl-5-(4-pyridyl)(1,2,4-triazol-3-ylthio) )acetamide, N-(5-chloro-2-methoxyphenyl)-2-{[4-phenyl-5-(4-pyridinyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
| Molecular Formula | C22H18ClN5O2S |
|---|---|
| Molecular Weight | 451.09 g/mol |
| LogP | 4.7221 |
| Topological Polar Surface Area | 81.93 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 451.08698 |
| Heavy Atoms | 31 |
| Complexity | 1185.2478 |
Chemical Identifiers
| CAS Number | 332376-29-1 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)Cl)NC(=O)CSC2=NN=C(N2C3=CC=CC=C3)C4=CC=NC=C4 |
Product Overview
BAS 01516512 (CAS 332376-29-1), with molecular formula C22H18ClN5O2S and molecular weight 451.09 g/mol. IUPAC: N-(5-chloro-2-methoxyphenyl)-2-[(4-phenyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide.
Chemical Property Profile of BAS 01516512
Property Insights of BAS 01516512
The XLogP value of 4.7221 indicates that BAS 01516512 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.93 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 01516512. Following Lipinski's Rule of Five, BAS 01516512 has 1 hydrogen bond donor(s) and 6 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 01516512?
The CAS number of BAS 01516512 is 332376-29-1.
What is the molecular formula of BAS 01516512?
The molecular formula of BAS 01516512 is C22H18ClN5O2S.
What is the molecular weight of BAS 01516512?
The molecular weight of BAS 01516512 is 451.09 g/mol.
Where can I buy BAS 01516512?
You can request a quote for BAS 01516512 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 01516512?
Yes, KEHONG BIO provides custom synthesis services for BAS 01516512 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.