BAS 02069970
TL;DR: BAS 02069970 (CAS 338427-66-0) is a chemical compound with molecular formula C16H14ClN5OS and molecular weight 359.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3-chlorophenyl)-2-[(4-methyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
Also Known As: BAS 02069970, N-(3-chlorophenyl)-2-{[4-methyl-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide, N-(3-chlorophenyl)-2-((4-methyl-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl)thio)acetamide, N-(3-chlorophenyl)-2-(4-methyl-5-(3-pyridyl)(1,2,4-triazol-3-ylthio))acetamide, N-(3-chlorophenyl)-2-[(4-methyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
| Molecular Formula | C16H14ClN5OS |
|---|---|
| Molecular Weight | 359.06 g/mol |
| LogP | 3.2613 |
| Topological Polar Surface Area | 72.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 359.06076 |
| Heavy Atoms | 24 |
| Complexity | 852.6839 |
Chemical Identifiers
| CAS Number | 338427-66-0 |
|---|---|
| SMILES | CN1C(=NN=C1SCC(=O)NC2=CC(=CC=C2)Cl)C3=CN=CC=C3 |
Product Overview
BAS 02069970 (CAS 338427-66-0), with molecular formula C16H14ClN5OS and molecular weight 359.06 g/mol. IUPAC: N-(3-chlorophenyl)-2-[(4-methyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide.
Chemical Property Profile of BAS 02069970
Property Insights of BAS 02069970
The XLogP value of 3.2613 indicates that BAS 02069970 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 02069970. Following Lipinski's Rule of Five, BAS 02069970 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 BAS 02069970?
The CAS number of BAS 02069970 is 338427-66-0.
What is the molecular formula of BAS 02069970?
The molecular formula of BAS 02069970 is C16H14ClN5OS.
What is the molecular weight of BAS 02069970?
The molecular weight of BAS 02069970 is 359.06 g/mol.
Where can I buy BAS 02069970?
You can request a quote for BAS 02069970 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 02069970?
Yes, KEHONG BIO provides custom synthesis services for BAS 02069970 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.