AF-399/42679435
TL;DR: AF-399/42679435 (CAS 578698-41-6) is a chemical compound with molecular formula C21H20N4O2S2 and molecular weight 424.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3,5-dimethylphenyl)-2-[[4-(furan-2-ylmethyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide
Also Known As: AF-399/42679435, N-(3,5-dimethylphenyl)-2-[[4-(furan-2-ylmethyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide, N-(3,5-dimethylphenyl)-2-{[4-(2-furylmethyl)-5-(2-thienyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide, N-(3,5-dimethylphenyl)-2-{[4-(furan-2-ylmethyl)-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide, N-(3,5-dimethylphenyl)-2-((4-(furan-2-ylmethyl)-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl)thio)acetamide
| Molecular Formula | C21H20N4O2S2 |
|---|---|
| Molecular Weight | 424.10 g/mol |
| LogP | 4.99554 |
| Topological Polar Surface Area | 72.95 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 424.10278 |
| Heavy Atoms | 29 |
| Complexity | 1081.8785 |
Chemical Identifiers
| CAS Number | 578698-41-6 |
|---|---|
| SMILES | CC1=CC(=CC(=C1)NC(=O)CSC2=NN=C(N2CC3=CC=CO3)C4=CC=CS4)C |
Product Overview
AF-399/42679435 (CAS 578698-41-6), with molecular formula C21H20N4O2S2 and molecular weight 424.10 g/mol. IUPAC: N-(3,5-dimethylphenyl)-2-[[4-(furan-2-ylmethyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide.
Chemical Property Profile of AF-399/42679435
Property Insights of AF-399/42679435
The XLogP value of 4.99554 indicates that AF-399/42679435 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.95 Ų falls within the moderate polarity range, balancing permeability and solubility for AF-399/42679435. Following Lipinski's Rule of Five, AF-399/42679435 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 AF-399/42679435?
The CAS number of AF-399/42679435 is 578698-41-6.
What is the molecular formula of AF-399/42679435?
The molecular formula of AF-399/42679435 is C21H20N4O2S2.
What is the molecular weight of AF-399/42679435?
The molecular weight of AF-399/42679435 is 424.10 g/mol.
Where can I buy AF-399/42679435?
You can request a quote for AF-399/42679435 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AF-399/42679435?
Yes, KEHONG BIO provides custom synthesis services for AF-399/42679435 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.