AF-399/41083756
TL;DR: AF-399/41083756 (CAS 496023-77-9) is a chemical compound with molecular formula C20H27N3O2S2 and molecular weight 405.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-cyclohexyl-5,6-dimethyl-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylthieno[2,3-d]pyrimidin-4-one
Also Known As: AF-399/41083756, 3-cyclohexyl-5,6-dimethyl-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylthieno[2,3-d]pyrimidin-4-one, 3-cyclohexyl-5,6-dimethyl-2-(2-oxo-2-pyrrolidinylethylthio)-3-hydrothiopheno[2 ,3-d]pyrimidin-4-one, 3-cyclohexyl-5,6-dimethyl-2-{[2-oxo-2-(1-pyrrolidinyl)ethyl]sulfanyl}thieno[2,3-d]pyrimidin-4(3H)-one
| Molecular Formula | C20H27N3O2S2 |
|---|---|
| Molecular Weight | 405.15 g/mol |
| LogP | 4.29454 |
| Topological Polar Surface Area | 55.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 405.15448 |
| Heavy Atoms | 27 |
| Complexity | 906.06805 |
Chemical Identifiers
| CAS Number | 496023-77-9 |
|---|---|
| SMILES | CC1=C(SC2=C1C(=O)N(C(=N2)SCC(=O)N3CCCC3)C4CCCCC4)C |
Product Overview
AF-399/41083756 (CAS 496023-77-9), with molecular formula C20H27N3O2S2 and molecular weight 405.15 g/mol. IUPAC: 3-cyclohexyl-5,6-dimethyl-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylthieno[2,3-d]pyrimidin-4-one.
Chemical Property Profile of AF-399/41083756
Property Insights of AF-399/41083756
The XLogP value of 4.29454 indicates that AF-399/41083756 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-399/41083756 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AF-399/41083756 has 0 hydrogen bond donor(s) and 5 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-399/41083756?
The CAS number of AF-399/41083756 is 496023-77-9.
What is the molecular formula of AF-399/41083756?
The molecular formula of AF-399/41083756 is C20H27N3O2S2.
What is the molecular weight of AF-399/41083756?
The molecular weight of AF-399/41083756 is 405.15 g/mol.
Where can I buy AF-399/41083756?
You can request a quote for AF-399/41083756 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AF-399/41083756?
Yes, KEHONG BIO provides custom synthesis services for AF-399/41083756 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.