AF-399/14864244
TL;DR: AF-399/14864244 (CAS 315239-27-1) is a chemical compound with molecular formula C22H22N4O2S and molecular weight 406.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[5-(4-prop-2-enyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)pentyl]benzo[de]isoquinoline-1,3-dione
Also Known As: AF-399/14864244, 2-(5-(4-allyl-5-thioxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)pentyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione, F0786-0016, 3-{5-[4-(prop-2-en-1-yl)-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-3-yl]pentyl}-3-azatricyclo[7.3.1.0^{5,13}]trideca-1(12),5,7,9(13),10-pentaene-2,4-dione, 2-[5-(4-prop-2-enyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)pentyl]benzo[de]isoquinoline-1,3-dione
| Molecular Formula | C22H22N4O2S |
|---|---|
| Molecular Weight | 406.15 g/mol |
| LogP | 4.28889 |
| Topological Polar Surface Area | 70.99 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 406.14636 |
| Heavy Atoms | 29 |
| Complexity | 1110.3239 |
Chemical Identifiers
| CAS Number | 315239-27-1 |
|---|---|
| SMILES | C=CCN1C(=NNC1=S)CCCCCN2C(=O)C3=CC=CC4=C3C(=CC=C4)C2=O |
Product Overview
AF-399/14864244 (CAS 315239-27-1), with molecular formula C22H22N4O2S and molecular weight 406.15 g/mol. IUPAC: 2-[5-(4-prop-2-enyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)pentyl]benzo[de]isoquinoline-1,3-dione.
Chemical Property Profile of AF-399/14864244
Property Insights of AF-399/14864244
The XLogP value of 4.28889 indicates that AF-399/14864244 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.99 Ų falls within the moderate polarity range, balancing permeability and solubility for AF-399/14864244. Following Lipinski's Rule of Five, AF-399/14864244 has 1 hydrogen bond donor(s) and 4 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-399/14864244?
The CAS number of AF-399/14864244 is 315239-27-1.
What is the molecular formula of AF-399/14864244?
The molecular formula of AF-399/14864244 is C22H22N4O2S.
What is the molecular weight of AF-399/14864244?
The molecular weight of AF-399/14864244 is 406.15 g/mol.
Where can I buy AF-399/14864244?
You can request a quote for AF-399/14864244 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AF-399/14864244?
Yes, KEHONG BIO provides custom synthesis services for AF-399/14864244 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.