AF-399/14387019
TL;DR: AF-399/14387019 (CAS 314261-91-1) is a chemical compound with molecular formula C22H16N4O2S and molecular weight 400.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-(4-phenyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)ethyl]benzo[de]isoquinoline-1,3-dione
Also Known As: AF-399/14387019, 2-[2-(4-phenyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)ethyl]benzo[de]isoquinoline-1,3-dione, 2-(2-(4-phenyl-5-thioxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)ethyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione, 3-[2-(4-phenyl-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-3-yl)ethyl]-3-azatricyclo[7.3.1.0^{5,13}]trideca-1(12),5,7,9(13),10-pentaene-2,4-dione, F0741-0007
| Molecular Formula | C22H16N4O2S |
|---|---|
| Molecular Weight | 400.10 g/mol |
| LogP | 3.92179 |
| Topological Polar Surface Area | 70.99 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 400.0994 |
| Heavy Atoms | 29 |
| Complexity | 1272.9073 |
Chemical Identifiers
| CAS Number | 314261-91-1 |
|---|---|
| SMILES | C1=CC=C(C=C1)N2C(=NNC2=S)CCN3C(=O)C4=CC=CC5=C4C(=CC=C5)C3=O |
Product Overview
AF-399/14387019 (CAS 314261-91-1), with molecular formula C22H16N4O2S and molecular weight 400.10 g/mol. IUPAC: 2-[2-(4-phenyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)ethyl]benzo[de]isoquinoline-1,3-dione.
Chemical Property Profile of AF-399/14387019
Property Insights of AF-399/14387019
The XLogP value of 3.92179 indicates that AF-399/14387019 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-399/14387019. Following Lipinski's Rule of Five, AF-399/14387019 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-399/14387019?
The CAS number of AF-399/14387019 is 314261-91-1.
What is the molecular formula of AF-399/14387019?
The molecular formula of AF-399/14387019 is C22H16N4O2S.
What is the molecular weight of AF-399/14387019?
The molecular weight of AF-399/14387019 is 400.10 g/mol.
Where can I buy AF-399/14387019?
You can request a quote for AF-399/14387019 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AF-399/14387019?
Yes, KEHONG BIO provides custom synthesis services for AF-399/14387019 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.