AF-399/42679675
TL;DR: AF-399/42679675 (CAS 579446-52-9) is a chemical compound with molecular formula C21H20N4O3S2 and molecular weight 440.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-ethoxyphenyl)-2-[[4-(furan-2-ylmethyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide
Also Known As: AF-399/42679675, N-(4-ethoxyphenyl)-2-[[4-(furan-2-ylmethyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide, N-(4-ethoxyphenyl)-2-{[4-(2-furylmethyl)-5-(2-thienyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide, N-(4-ethoxyphenyl)-2-{[4-(furan-2-ylmethyl)-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide, N-(4-ethoxyphenyl)-2-((4-(furan-2-ylmethyl)-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl)thio)acetamide
| Molecular Formula | C21H20N4O3S2 |
|---|---|
| Molecular Weight | 440.10 g/mol |
| LogP | 4.7774 |
| Topological Polar Surface Area | 82.18 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 440.0977 |
| Heavy Atoms | 30 |
| Complexity | 1074.3792 |
Chemical Identifiers
| CAS Number | 579446-52-9 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2CC3=CC=CO3)C4=CC=CS4 |
Product Overview
AF-399/42679675 (CAS 579446-52-9), with molecular formula C21H20N4O3S2 and molecular weight 440.10 g/mol. IUPAC: N-(4-ethoxyphenyl)-2-[[4-(furan-2-ylmethyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide.
Chemical Property Profile of AF-399/42679675
Property Insights of AF-399/42679675
The XLogP value of 4.7774 indicates that AF-399/42679675 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-399/42679675. Following Lipinski's Rule of Five, AF-399/42679675 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-399/42679675?
The CAS number of AF-399/42679675 is 579446-52-9.
What is the molecular formula of AF-399/42679675?
The molecular formula of AF-399/42679675 is C21H20N4O3S2.
What is the molecular weight of AF-399/42679675?
The molecular weight of AF-399/42679675 is 440.10 g/mol.
Where can I buy AF-399/42679675?
You can request a quote for AF-399/42679675 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AF-399/42679675?
Yes, KEHONG BIO provides custom synthesis services for AF-399/42679675 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.