BAS 04038861
TL;DR: BAS 04038861 (CAS 497837-60-2) is a chemical compound with molecular formula C15H13ClN4O2S and molecular weight 348.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-chlorophenyl)-2-[[5-(furan-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
Also Known As: BAS 04038861, AO-080/41039692, N-(4-chlorophenyl)-2-{[5-(furan-2-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide, N-(4-chlorophenyl)-2-((5-(furan-2-yl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)acetamide, N-(4-chlorophenyl)-2-(5-(2-furyl)-4-methyl(1,2,4-triazol-3-ylthio))acetamide
| Molecular Formula | C15H13ClN4O2S |
|---|---|
| Molecular Weight | 348.04 g/mol |
| LogP | 3.4593 |
| Topological Polar Surface Area | 72.95 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 348.04477 |
| Heavy Atoms | 23 |
| Complexity | 799.50854 |
Chemical Identifiers
| CAS Number | 497837-60-2 |
|---|---|
| SMILES | CN1C(=NN=C1SCC(=O)NC2=CC=C(C=C2)Cl)C3=CC=CO3 |
Product Overview
BAS 04038861 (CAS 497837-60-2), with molecular formula C15H13ClN4O2S and molecular weight 348.04 g/mol. IUPAC: N-(4-chlorophenyl)-2-[[5-(furan-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide.
Chemical Property Profile of BAS 04038861
Property Insights of BAS 04038861
The XLogP value of 3.4593 indicates that BAS 04038861 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.95 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 04038861. Following Lipinski's Rule of Five, BAS 04038861 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 04038861?
The CAS number of BAS 04038861 is 497837-60-2.
What is the molecular formula of BAS 04038861?
The molecular formula of BAS 04038861 is C15H13ClN4O2S.
What is the molecular weight of BAS 04038861?
The molecular weight of BAS 04038861 is 348.04 g/mol.
Where can I buy BAS 04038861?
You can request a quote for BAS 04038861 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 04038861?
Yes, KEHONG BIO provides custom synthesis services for BAS 04038861 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.