AF-399/15599194
TL;DR: AF-399/15599194 (CAS 379250-79-0) is a chemical compound with molecular formula C21H16N2O2S3 and molecular weight 424.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-oxo-2-thiophen-2-ylethyl)sulfanyl-5-phenyl-3-prop-2-enylthieno[2,3-d]pyrimidin-4-one
Also Known As: AF-399/15599194, 2-{[2-oxo-2-(thiophen-2-yl)ethyl]sulfanyl}-5-phenyl-3-(prop-2-en-1-yl)-3H,4H-thieno[2,3-d]pyrimidin-4-one, 2-(2-oxo-2-thiophen-2-ylethyl)sulfanyl-5-phenyl-3-prop-2-enylthieno[2,3-d]pyrimidin-4-one, 3-allyl-2-{[2-oxo-2-(2-thienyl)ethyl]sulfanyl}-5-phenylthieno[2,3-d]pyrimidin-4(3H)-one, 2-(2-oxo-2-(2-thienyl)ethylthio)-5-phenyl-3-prop-2-enyl-3-hydrothiopheno[2,3-d ]pyrimidin-4-one
| Molecular Formula | C21H16N2O2S3 |
|---|---|
| Molecular Weight | 424.04 g/mol |
| LogP | 5.3475 |
| Topological Polar Surface Area | 51.96 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 424.03738 |
| Heavy Atoms | 28 |
| Complexity | 1191.8518 |
Chemical Identifiers
| CAS Number | 379250-79-0 |
|---|---|
| SMILES | C=CCN1C(=O)C2=C(N=C1SCC(=O)C3=CC=CS3)SC=C2C4=CC=CC=C4 |
Product Overview
AF-399/15599194 (CAS 379250-79-0), with molecular formula C21H16N2O2S3 and molecular weight 424.04 g/mol. IUPAC: 2-(2-oxo-2-thiophen-2-ylethyl)sulfanyl-5-phenyl-3-prop-2-enylthieno[2,3-d]pyrimidin-4-one.
Chemical Property Profile of AF-399/15599194
Property Insights of AF-399/15599194
The XLogP value of 5.3475 indicates that AF-399/15599194 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.96 Ų, AF-399/15599194 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AF-399/15599194 has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AF-399/15599194?
The CAS number of AF-399/15599194 is 379250-79-0.
What is the molecular formula of AF-399/15599194?
The molecular formula of AF-399/15599194 is C21H16N2O2S3.
What is the molecular weight of AF-399/15599194?
The molecular weight of AF-399/15599194 is 424.04 g/mol.
Where can I buy AF-399/15599194?
You can request a quote for AF-399/15599194 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AF-399/15599194?
Yes, KEHONG BIO provides custom synthesis services for AF-399/15599194 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.