AF-399/40684370
TL;DR: AF-399/40684370 (CAS 379246-40-9) is a chemical compound with molecular formula C14H16N2OS2 and molecular weight 292.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)sulfanyl]propan-2-one
Also Known As: AF-399/40684370, 1-({5-methyl-8-thia-4,6-diazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2,4,6-tetraen-3-yl}sulfanyl)propan-2-one, 1-(2-methyl-5,6,7,8-tetrahydrobenzo[b]thiopheno[3,2-e]pyrimidin-4-ylthio)aceto ne, 1-[(2-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl)sulfanyl]acetone, 1-[(2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)sulfanyl]propan-2-one
| Molecular Formula | C14H16N2OS2 |
|---|---|
| Molecular Weight | 292.07 g/mol |
| LogP | 3.55962 |
| Topological Polar Surface Area | 42.85 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 292.0704 |
| Heavy Atoms | 19 |
| Complexity | 648.42365 |
Chemical Identifiers
| CAS Number | 379246-40-9 |
|---|---|
| SMILES | CC1=NC2=C(C3=C(S2)CCCC3)C(=N1)SCC(=O)C |
Product Overview
AF-399/40684370 (CAS 379246-40-9), with molecular formula C14H16N2OS2 and molecular weight 292.07 g/mol. IUPAC: 1-[(2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)sulfanyl]propan-2-one.
Chemical Property Profile of AF-399/40684370
Property Insights of AF-399/40684370
The XLogP value of 3.55962 indicates that AF-399/40684370 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-399/40684370 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AF-399/40684370 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-399/40684370?
The CAS number of AF-399/40684370 is 379246-40-9.
What is the molecular formula of AF-399/40684370?
The molecular formula of AF-399/40684370 is C14H16N2OS2.
What is the molecular weight of AF-399/40684370?
The molecular weight of AF-399/40684370 is 292.07 g/mol.
Where can I buy AF-399/40684370?
You can request a quote for AF-399/40684370 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AF-399/40684370?
Yes, KEHONG BIO provides custom synthesis services for AF-399/40684370 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.