BAS 02069969
TL;DR: BAS 02069969 (CAS 338427-65-9) 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-(4-chlorophenyl)-2-[(4-methyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
Also Known As: BAS 02069969, N-(4-chlorophenyl)-2-{[4-methyl-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide, N-(4-chlorophenyl)-2-((4-methyl-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl)thio)acetamide, N-(4-chlorophenyl)-2-(4-methyl-5-(3-pyridyl)(1,2,4-triazol-3-ylthio))acetamide, N-(4-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 | 835.4339 |
Chemical Identifiers
| CAS Number | 338427-65-9 |
|---|---|
| SMILES | CN1C(=NN=C1SCC(=O)NC2=CC=C(C=C2)Cl)C3=CN=CC=C3 |
Product Overview
BAS 02069969 (CAS 338427-65-9), with molecular formula C16H14ClN5OS and molecular weight 359.06 g/mol. IUPAC: N-(4-chlorophenyl)-2-[(4-methyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide.
Chemical Property Profile of BAS 02069969
Property Insights of BAS 02069969
The XLogP value of 3.2613 indicates that BAS 02069969 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 02069969. Following Lipinski's Rule of Five, BAS 02069969 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 02069969?
The CAS number of BAS 02069969 is 338427-65-9.
What is the molecular formula of BAS 02069969?
The molecular formula of BAS 02069969 is C16H14ClN5OS.
What is the molecular weight of BAS 02069969?
The molecular weight of BAS 02069969 is 359.06 g/mol.
Where can I buy BAS 02069969?
You can request a quote for BAS 02069969 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 02069969?
Yes, KEHONG BIO provides custom synthesis services for BAS 02069969 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.