AF-399/42679670
TL;DR: AF-399/42679670 (CAS 577980-88-2) is a chemical compound with molecular formula C20H18N4O3S2 and molecular weight 426.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[4-(furan-2-ylmethyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-methoxyphenyl)acetamide
Also Known As: AF-399/42679670, 2-{[4-(furan-2-ylmethyl)-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-methoxyphenyl)acetamide, 2-((4-(furan-2-ylmethyl)-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(4-methoxyphenyl)acetamide, 2-[[4-(furan-2-ylmethyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-methoxyphenyl)acetamide, 2-{[4-(2-furylmethyl)-5-(2-thienyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-methoxyphenyl)acetamide
| Molecular Formula | C20H18N4O3S2 |
|---|---|
| Molecular Weight | 426.08 g/mol |
| LogP | 4.3873 |
| Topological Polar Surface Area | 82.18 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 426.08203 |
| Heavy Atoms | 29 |
| Complexity | 1058.0621 |
Chemical Identifiers
| CAS Number | 577980-88-2 |
|---|---|
| SMILES | COC1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2CC3=CC=CO3)C4=CC=CS4 |
Product Overview
AF-399/42679670 (CAS 577980-88-2), with molecular formula C20H18N4O3S2 and molecular weight 426.08 g/mol. IUPAC: 2-[[4-(furan-2-ylmethyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-methoxyphenyl)acetamide.
Chemical Property Profile of AF-399/42679670
Property Insights of AF-399/42679670
The XLogP value of 4.3873 indicates that AF-399/42679670 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 82.18 Ų falls within the moderate polarity range, balancing permeability and solubility for AF-399/42679670. Following Lipinski's Rule of Five, AF-399/42679670 has 1 hydrogen bond donor(s) and 7 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 AF-399/42679670?
The CAS number of AF-399/42679670 is 577980-88-2.
What is the molecular formula of AF-399/42679670?
The molecular formula of AF-399/42679670 is C20H18N4O3S2.
What is the molecular weight of AF-399/42679670?
The molecular weight of AF-399/42679670 is 426.08 g/mol.
Where can I buy AF-399/42679670?
You can request a quote for AF-399/42679670 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AF-399/42679670?
Yes, KEHONG BIO provides custom synthesis services for AF-399/42679670 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.