BAS 04210688
TL;DR: BAS 04210688 (CAS 498550-96-2) is a chemical compound with molecular formula C15H13FN4O2S and molecular weight 332.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3-fluorophenyl)-2-[[5-(furan-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
Also Known As: BAS 04210688, N-(3-fluorophenyl)-2-{[5-(furan-2-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide, N-(3-fluorophenyl)-2-((5-(furan-2-yl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)acetamide, N-(3-fluorophenyl)-2-(5-(2-furyl)-4-methyl(1,2,4-triazol-3-ylthio))acetamide, N-(3-fluorophenyl)-2-[[5-(furan-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
| Molecular Formula | C15H13FN4O2S |
|---|---|
| Molecular Weight | 332.07 g/mol |
| LogP | 2.945 |
| Topological Polar Surface Area | 72.95 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 332.0743 |
| Heavy Atoms | 23 |
| Complexity | 816.75854 |
Chemical Identifiers
| CAS Number | 498550-96-2 |
|---|---|
| SMILES | CN1C(=NN=C1SCC(=O)NC2=CC(=CC=C2)F)C3=CC=CO3 |
Product Overview
BAS 04210688 (CAS 498550-96-2), with molecular formula C15H13FN4O2S and molecular weight 332.07 g/mol. IUPAC: N-(3-fluorophenyl)-2-[[5-(furan-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide.
Chemical Property Profile of BAS 04210688
Property Insights of BAS 04210688
The XLogP value of 2.945 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 04210688. The TPSA of 72.95 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 04210688. Following Lipinski's Rule of Five, BAS 04210688 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 04210688?
The CAS number of BAS 04210688 is 498550-96-2.
What is the molecular formula of BAS 04210688?
The molecular formula of BAS 04210688 is C15H13FN4O2S.
What is the molecular weight of BAS 04210688?
The molecular weight of BAS 04210688 is 332.07 g/mol.
Where can I buy BAS 04210688?
You can request a quote for BAS 04210688 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 04210688?
Yes, KEHONG BIO provides custom synthesis services for BAS 04210688 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.