BAS 04038779
TL;DR: BAS 04038779 (CAS 557067-86-4) is a chemical compound with molecular formula C19H15FN4O3S and molecular weight 398.08 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-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
Also Known As: BAS 04038779, N-(3-Fluorophenyl)-2-((5-(furan-2-yl)-4-(furan-2-ylmethyl)-4H-1,2,4-triazol-3-yl)thio)acetamide, N-(3-fluorophenyl)-2-{[5-(furan-2-yl)-4-(furan-2-ylmethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide, N-(3-fluorophenyl)-2-[5-(2-furyl)-4-(2-furylmethyl)(1,2,4-triazol-3-ylthio)]ac etamide, N-(3-Fluoro-phenyl)-2-(5-furan-2-yl-4-furan-2-ylmethyl-4H-[1,2,4]triazol-3-ylsulfanyl)-acetamide
| Molecular Formula | C19H15FN4O3S |
|---|---|
| Molecular Weight | 398.08 g/mol |
| LogP | 4.0493 |
| Topological Polar Surface Area | 86.09 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 398.0849 |
| Heavy Atoms | 28 |
| Complexity | 1061.0057 |
Chemical Identifiers
| CAS Number | 557067-86-4 |
|---|---|
| SMILES | C1=CC(=CC(=C1)F)NC(=O)CSC2=NN=C(N2CC3=CC=CO3)C4=CC=CO4 |
Product Overview
BAS 04038779 (CAS 557067-86-4), with molecular formula C19H15FN4O3S and molecular weight 398.08 g/mol. IUPAC: N-(3-fluorophenyl)-2-[[5-(furan-2-yl)-4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide.
Chemical Property Profile of BAS 04038779
Property Insights of BAS 04038779
The XLogP value of 4.0493 indicates that BAS 04038779 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 86.09 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 04038779. Following Lipinski's Rule of Five, BAS 04038779 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 04038779?
The CAS number of BAS 04038779 is 557067-86-4.
What is the molecular formula of BAS 04038779?
The molecular formula of BAS 04038779 is C19H15FN4O3S.
What is the molecular weight of BAS 04038779?
The molecular weight of BAS 04038779 is 398.08 g/mol.
Where can I buy BAS 04038779?
You can request a quote for BAS 04038779 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 04038779?
Yes, KEHONG BIO provides custom synthesis services for BAS 04038779 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.