AF-399/40862997
TL;DR: AF-399/40862997 (CAS 379237-76-0) is a chemical compound with molecular formula C19H16FN3OS and molecular weight 353.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2,5-dimethylpyrrol-1-yl)-5-(4-fluorophenyl)-2-methylthieno[2,3-d]pyrimidin-4-one
Also Known As: AF-399/40862997, 3-(2,5-dimethyl-1H-pyrrol-1-yl)-5-(4-fluorophenyl)-2-methylthieno[2,3-d]pyrimidin-4(3H)-one, 3-(2,5-dimethylpyrrol-1-yl)-5-(4-fluorophenyl)-2-methylthieno[2,3-d]pyrimidin-4-one, 3-(2,5-dimethylpyrrolyl)-5-(4-fluorophenyl)-2-methyl-3-hydrothiopheno[2,3-d]py rimidin-4-one
| Molecular Formula | C19H16FN3OS |
|---|---|
| Molecular Weight | 353.10 g/mol |
| LogP | 4.30226 |
| Topological Polar Surface Area | 39.82 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 353.09982 |
| Heavy Atoms | 25 |
| Complexity | 1132.5878 |
Chemical Identifiers
| CAS Number | 379237-76-0 |
|---|---|
| SMILES | CC1=CC=C(N1N2C(=NC3=C(C2=O)C(=CS3)C4=CC=C(C=C4)F)C)C |
Product Overview
AF-399/40862997 (CAS 379237-76-0), with molecular formula C19H16FN3OS and molecular weight 353.10 g/mol. IUPAC: 3-(2,5-dimethylpyrrol-1-yl)-5-(4-fluorophenyl)-2-methylthieno[2,3-d]pyrimidin-4-one.
Chemical Property Profile of AF-399/40862997
Property Insights of AF-399/40862997
The XLogP value of 4.30226 indicates that AF-399/40862997 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 39.82 Ų, AF-399/40862997 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AF-399/40862997 has 0 hydrogen bond donor(s) and 3 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-399/40862997?
The CAS number of AF-399/40862997 is 379237-76-0.
What is the molecular formula of AF-399/40862997?
The molecular formula of AF-399/40862997 is C19H16FN3OS.
What is the molecular weight of AF-399/40862997?
The molecular weight of AF-399/40862997 is 353.10 g/mol.
Where can I buy AF-399/40862997?
You can request a quote for AF-399/40862997 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AF-399/40862997?
Yes, KEHONG BIO provides custom synthesis services for AF-399/40862997 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.