AF-399/41945548
TL;DR: AF-399/41945548 (CAS 500113-84-8) is a chemical compound with molecular formula C23H21N5OS2 and molecular weight 447.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4-phenyl-5-prop-2-enylsulfanyl-1,2,4-triazol-3-yl)methylsulfanyl]-3-prop-2-enylquinazolin-4-one
Also Known As: AF-399/41945548, 2-[(4-phenyl-5-prop-2-enylsulfanyl-1,2,4-triazol-3-yl)methylsulfanyl]-3-prop-2-enylquinazolin-4-one, 3-allyl-2-({[5-(allylsulfanyl)-4-phenyl-4H-1,2,4-triazol-3-yl]methyl}sulfanyl)-4(3H)-quinazolinone
| Molecular Formula | C23H21N5OS2 |
|---|---|
| Molecular Weight | 447.12 g/mol |
| LogP | 4.7336 |
| Topological Polar Surface Area | 65.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 447.11874 |
| Heavy Atoms | 31 |
| Complexity | 1280.3666 |
Chemical Identifiers
| CAS Number | 500113-84-8 |
|---|---|
| SMILES | C=CCN1C(=O)C2=CC=CC=C2N=C1SCC3=NN=C(N3C4=CC=CC=C4)SCC=C |
Product Overview
AF-399/41945548 (CAS 500113-84-8), with molecular formula C23H21N5OS2 and molecular weight 447.12 g/mol. IUPAC: 2-[(4-phenyl-5-prop-2-enylsulfanyl-1,2,4-triazol-3-yl)methylsulfanyl]-3-prop-2-enylquinazolin-4-one.
Chemical Property Profile of AF-399/41945548
Property Insights of AF-399/41945548
The XLogP value of 4.7336 indicates that AF-399/41945548 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 65.6 Ų falls within the moderate polarity range, balancing permeability and solubility for AF-399/41945548. Following Lipinski's Rule of Five, AF-399/41945548 has 0 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-399/41945548?
The CAS number of AF-399/41945548 is 500113-84-8.
What is the molecular formula of AF-399/41945548?
The molecular formula of AF-399/41945548 is C23H21N5OS2.
What is the molecular weight of AF-399/41945548?
The molecular weight of AF-399/41945548 is 447.12 g/mol.
Where can I buy AF-399/41945548?
You can request a quote for AF-399/41945548 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AF-399/41945548?
Yes, KEHONG BIO provides custom synthesis services for AF-399/41945548 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.