AF-399/40827481
TL;DR: AF-399/40827481 (CAS 379239-33-5) is a chemical compound with molecular formula C23H20N2O2S3 and molecular weight 452.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-(5-methylthiophen-2-yl)-2-oxoethyl]sulfanyl-3-phenyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one
Also Known As: AF-399/40827481, 5-{[2-(5-methylthiophen-2-yl)-2-oxoethyl]sulfanyl}-4-phenyl-8-thia-4,6-diazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),5-trien-3-one, F1441-0185, 2-[2-(5-methylthiophen-2-yl)-2-oxoethyl]sulfanyl-3-phenyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one, 2-((2-(5-methylthiophen-2-yl)-2-oxoethyl)thio)-3-phenyl-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4(3H)-one
| Molecular Formula | C23H20N2O2S3 |
|---|---|
| Molecular Weight | 452.07 g/mol |
| LogP | 5.67092 |
| Topological Polar Surface Area | 51.96 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 452.0687 |
| Heavy Atoms | 30 |
| Complexity | 1301.4796 |
Chemical Identifiers
| CAS Number | 379239-33-5 |
|---|---|
| SMILES | CC1=CC=C(S1)C(=O)CSC2=NC3=C(C4=C(S3)CCCC4)C(=O)N2C5=CC=CC=C5 |
Product Overview
AF-399/40827481 (CAS 379239-33-5), with molecular formula C23H20N2O2S3 and molecular weight 452.07 g/mol. IUPAC: 2-[2-(5-methylthiophen-2-yl)-2-oxoethyl]sulfanyl-3-phenyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one.
Chemical Property Profile of AF-399/40827481
Property Insights of AF-399/40827481
The XLogP value of 5.67092 indicates that AF-399/40827481 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-399/40827481 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AF-399/40827481 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-399/40827481?
The CAS number of AF-399/40827481 is 379239-33-5.
What is the molecular formula of AF-399/40827481?
The molecular formula of AF-399/40827481 is C23H20N2O2S3.
What is the molecular weight of AF-399/40827481?
The molecular weight of AF-399/40827481 is 452.07 g/mol.
Where can I buy AF-399/40827481?
You can request a quote for AF-399/40827481 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AF-399/40827481?
Yes, KEHONG BIO provides custom synthesis services for AF-399/40827481 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.