AF-399/40806230
TL;DR: AF-399/40806230 (CAS 379239-40-4) is a chemical compound with molecular formula C24H27N3O2S2 and molecular weight 453.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]sulfanyl-3-phenyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one
Also Known As: AF-399/40806230, F1174-3093, 2-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]sulfanyl-3-phenyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one, 2-{[2-(2-methylpiperidin-1-yl)-2-oxoethyl]sulfanyl}-3-phenyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one, 5-{[2-(2-methylpiperidin-1-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
| Molecular Formula | C24H27N3O2S2 |
|---|---|
| Molecular Weight | 453.15 g/mol |
| LogP | 4.8191 |
| Topological Polar Surface Area | 55.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 453.15448 |
| Heavy Atoms | 31 |
| Complexity | 1169.0214 |
Chemical Identifiers
| CAS Number | 379239-40-4 |
|---|---|
| SMILES | CC1CCCCN1C(=O)CSC2=NC3=C(C4=C(S3)CCCC4)C(=O)N2C5=CC=CC=C5 |
Product Overview
AF-399/40806230 (CAS 379239-40-4), with molecular formula C24H27N3O2S2 and molecular weight 453.15 g/mol. IUPAC: 2-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]sulfanyl-3-phenyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one.
Chemical Property Profile of AF-399/40806230
Property Insights of AF-399/40806230
The XLogP value of 4.8191 indicates that AF-399/40806230 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-399/40806230 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AF-399/40806230 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-399/40806230?
The CAS number of AF-399/40806230 is 379239-40-4.
What is the molecular formula of AF-399/40806230?
The molecular formula of AF-399/40806230 is C24H27N3O2S2.
What is the molecular weight of AF-399/40806230?
The molecular weight of AF-399/40806230 is 453.15 g/mol.
Where can I buy AF-399/40806230?
You can request a quote for AF-399/40806230 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AF-399/40806230?
Yes, KEHONG BIO provides custom synthesis services for AF-399/40806230 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.