AF-399/42679669
TL;DR: AF-399/42679669 (CAS 720678-00-2) is a chemical compound with molecular formula C21H20N4O4S2 and molecular weight 456.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3,5-dimethoxyphenyl)-2-[[4-(furan-2-ylmethyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide
Also Known As: AF-399/42679669, N-(3,5-dimethoxyphenyl)-2-{[4-(furan-2-ylmethyl)-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide, N-(3,5-dimethoxyphenyl)-2-((4-(furan-2-ylmethyl)-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl)thio)acetamide, N-(3,5-dimethoxyphenyl)-2-[[4-(furan-2-ylmethyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide, N-(3,5-dimethoxyphenyl)-2-{[4-(2-furylmethyl)-5-(2-thienyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
| Molecular Formula | C21H20N4O4S2 |
|---|---|
| Molecular Weight | 456.09 g/mol |
| LogP | 4.3959 |
| Topological Polar Surface Area | 91.41 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 9 |
| Exact Mass | 456.0926 |
| Heavy Atoms | 31 |
| Complexity | 1118.3232 |
Chemical Identifiers
| CAS Number | 720678-00-2 |
|---|---|
| SMILES | COC1=CC(=CC(=C1)NC(=O)CSC2=NN=C(N2CC3=CC=CO3)C4=CC=CS4)OC |
Product Overview
AF-399/42679669 (CAS 720678-00-2), with molecular formula C21H20N4O4S2 and molecular weight 456.09 g/mol. IUPAC: N-(3,5-dimethoxyphenyl)-2-[[4-(furan-2-ylmethyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide.
Chemical Property Profile of AF-399/42679669
Property Insights of AF-399/42679669
The XLogP value of 4.3959 indicates that AF-399/42679669 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 91.41 Ų falls within the moderate polarity range, balancing permeability and solubility for AF-399/42679669. Following Lipinski's Rule of Five, AF-399/42679669 has 1 hydrogen bond donor(s) and 8 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-399/42679669?
The CAS number of AF-399/42679669 is 720678-00-2.
What is the molecular formula of AF-399/42679669?
The molecular formula of AF-399/42679669 is C21H20N4O4S2.
What is the molecular weight of AF-399/42679669?
The molecular weight of AF-399/42679669 is 456.09 g/mol.
Where can I buy AF-399/42679669?
You can request a quote for AF-399/42679669 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AF-399/42679669?
Yes, KEHONG BIO provides custom synthesis services for AF-399/42679669 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.