AF-399/40851814
TL;DR: AF-399/40851814 (CAS 379239-15-3) is a chemical compound with molecular formula C19H19N3O2S3 and molecular weight 417.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-3-prop-2-enyl-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-one
Also Known As: AF-399/40851814, F1174-3071, 2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-3-prop-2-enyl-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-one, 2-{[2-oxo-2-(pyrrolidin-1-yl)ethyl]sulfanyl}-3-(prop-2-en-1-yl)-5-(thiophen-2-yl)-3H,4H-thieno[2,3-d]pyrimidin-4-one, 3-allyl-2-((2-oxo-2-(pyrrolidin-1-yl)ethyl)thio)-5-(thiophen-2-yl)thieno[2,3-d]pyrimidin-4(3H)-one
| Molecular Formula | C19H19N3O2S3 |
|---|---|
| Molecular Weight | 417.06 g/mol |
| LogP | 4.087 |
| Topological Polar Surface Area | 55.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 417.06393 |
| Heavy Atoms | 27 |
| Complexity | 1030.5782 |
Chemical Identifiers
| CAS Number | 379239-15-3 |
|---|---|
| SMILES | C=CCN1C(=O)C2=C(N=C1SCC(=O)N3CCCC3)SC=C2C4=CC=CS4 |
Product Overview
AF-399/40851814 (CAS 379239-15-3), with molecular formula C19H19N3O2S3 and molecular weight 417.06 g/mol. IUPAC: 2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-3-prop-2-enyl-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-one.
Chemical Property Profile of AF-399/40851814
Property Insights of AF-399/40851814
The XLogP value of 4.087 indicates that AF-399/40851814 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.2 Ų, AF-399/40851814 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AF-399/40851814 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-399/40851814?
The CAS number of AF-399/40851814 is 379239-15-3.
What is the molecular formula of AF-399/40851814?
The molecular formula of AF-399/40851814 is C19H19N3O2S3.
What is the molecular weight of AF-399/40851814?
The molecular weight of AF-399/40851814 is 417.06 g/mol.
Where can I buy AF-399/40851814?
You can request a quote for AF-399/40851814 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AF-399/40851814?
Yes, KEHONG BIO provides custom synthesis services for AF-399/40851814 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.