AF-399/40827478
TL;DR: AF-399/40827478 (CAS 379239-28-8) is a chemical compound with molecular formula C17H16N2OS3 and molecular weight 360.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(5-methylthiophen-2-yl)-2-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-ylsulfanyl)ethanone
Also Known As: AF-399/40827478, F1174-3081, 1-(5-methylthiophen-2-yl)-2-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-ylsulfanyl)ethanone, 1-(5-methylthiophen-2-yl)-2-{8-thia-4,6-diazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),3,5-tetraen-3-ylsulfanyl}ethan-1-one, 1-(5-methyl-2-thienyl)-2-(5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-ylsulfanyl)ethanone
| Molecular Formula | C17H16N2OS3 |
|---|---|
| Molecular Weight | 360.04 g/mol |
| LogP | 4.91502 |
| Topological Polar Surface Area | 42.85 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 360.04248 |
| Heavy Atoms | 23 |
| Complexity | 881.2262 |
Chemical Identifiers
| CAS Number | 379239-28-8 |
|---|---|
| SMILES | CC1=CC=C(S1)C(=O)CSC2=NC=NC3=C2C4=C(S3)CCCC4 |
Product Overview
AF-399/40827478 (CAS 379239-28-8), with molecular formula C17H16N2OS3 and molecular weight 360.04 g/mol. IUPAC: 1-(5-methylthiophen-2-yl)-2-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-ylsulfanyl)ethanone.
Chemical Property Profile of AF-399/40827478
Property Insights of AF-399/40827478
The XLogP value of 4.91502 indicates that AF-399/40827478 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 42.85 Ų, AF-399/40827478 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AF-399/40827478 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-399/40827478?
The CAS number of AF-399/40827478 is 379239-28-8.
What is the molecular formula of AF-399/40827478?
The molecular formula of AF-399/40827478 is C17H16N2OS3.
What is the molecular weight of AF-399/40827478?
The molecular weight of AF-399/40827478 is 360.04 g/mol.
Where can I buy AF-399/40827478?
You can request a quote for AF-399/40827478 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AF-399/40827478?
Yes, KEHONG BIO provides custom synthesis services for AF-399/40827478 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.