AF-399/41178817
TL;DR: AF-399/41178817 (CAS 488794-59-8) is a chemical compound with molecular formula C24H21N5O3S2 and molecular weight 491.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[4-[2-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]phenyl]benzenesulfonamide
Also Known As: AF-399/41178817, N-(4-(2-((4-allyl-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl)thio)acetyl)phenyl)benzenesulfonamide, F1161-0057, N-[4-(2-{[4-(prop-2-en-1-yl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)phenyl]benzenesulfonamide, N-[4-({[4-(prop-2-en-1-yl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)phenyl]benzenesulfonamide
| Molecular Formula | C24H21N5O3S2 |
|---|---|
| Molecular Weight | 491.11 g/mol |
| LogP | 4.3019 |
| Topological Polar Surface Area | 106.84 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 10 |
| Exact Mass | 491.10858 |
| Heavy Atoms | 34 |
| Complexity | 1387.8212 |
Chemical Identifiers
| CAS Number | 488794-59-8 |
|---|---|
| SMILES | C=CCN1C(=NN=C1SCC(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=CC=CC=C3)C4=CC=NC=C4 |
Product Overview
AF-399/41178817 (CAS 488794-59-8), with molecular formula C24H21N5O3S2 and molecular weight 491.11 g/mol. IUPAC: N-[4-[2-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]phenyl]benzenesulfonamide.
Chemical Property Profile of AF-399/41178817
Property Insights of AF-399/41178817
The XLogP value of 4.3019 indicates that AF-399/41178817 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 106.84 Ų falls within the moderate polarity range, balancing permeability and solubility for AF-399/41178817. Following Lipinski's Rule of Five, AF-399/41178817 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-399/41178817?
The CAS number of AF-399/41178817 is 488794-59-8.
What is the molecular formula of AF-399/41178817?
The molecular formula of AF-399/41178817 is C24H21N5O3S2.
What is the molecular weight of AF-399/41178817?
The molecular weight of AF-399/41178817 is 491.11 g/mol.
Where can I buy AF-399/41178817?
You can request a quote for AF-399/41178817 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AF-399/41178817?
Yes, KEHONG BIO provides custom synthesis services for AF-399/41178817 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.