BAS 04037889
TL;DR: BAS 04037889 (CAS 557069-64-4) is a chemical compound with molecular formula C16H16N4O3S and molecular weight 344.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-(furan-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(3-methoxyphenyl)acetamide
Also Known As: BAS 04037889, 2-{[5-(furan-2-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3-methoxyphenyl)acetamide, 2-((5-(furan-2-yl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)-N-(3-methoxyphenyl)acetamide, 2-(5-(2-furyl)-4-methyl(1,2,4-triazol-3-ylthio))-N-(3-methoxyphenyl)acetamide, 2-[[5-(furan-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(3-methoxyphenyl)acetamide
| Molecular Formula | C16H16N4O3S |
|---|---|
| Molecular Weight | 344.09 g/mol |
| LogP | 2.8145 |
| Topological Polar Surface Area | 82.18 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 344.0943 |
| Heavy Atoms | 24 |
| Complexity | 829.7274 |
Chemical Identifiers
| CAS Number | 557069-64-4 |
|---|---|
| SMILES | CN1C(=NN=C1SCC(=O)NC2=CC(=CC=C2)OC)C3=CC=CO3 |
Product Overview
BAS 04037889 (CAS 557069-64-4), with molecular formula C16H16N4O3S and molecular weight 344.09 g/mol. IUPAC: 2-[[5-(furan-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(3-methoxyphenyl)acetamide.
Chemical Property Profile of BAS 04037889
Property Insights of BAS 04037889
The XLogP value of 2.8145 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 04037889. The TPSA of 82.18 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 04037889. Following Lipinski's Rule of Five, BAS 04037889 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 04037889?
The CAS number of BAS 04037889 is 557069-64-4.
What is the molecular formula of BAS 04037889?
The molecular formula of BAS 04037889 is C16H16N4O3S.
What is the molecular weight of BAS 04037889?
The molecular weight of BAS 04037889 is 344.09 g/mol.
Where can I buy BAS 04037889?
You can request a quote for BAS 04037889 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 04037889?
Yes, KEHONG BIO provides custom synthesis services for BAS 04037889 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.