AF-399/40654510
TL;DR: AF-399/40654510 (CAS 315709-68-3) is a chemical compound with molecular formula C18H25N3OS and molecular weight 331.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-(4-methylpiperidin-1-yl)acetamide
Also Known As: AF-399/40654510, N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-(4-methylpiperidin-1-yl)acetamide, N-{3-cyano-4H,5H,6H,7H,8H-cyclohepta[b]thiophen-2-yl}-2-(4-methylpiperidin-1-yl)acetamide, N-(10-cyano-8-thiabicyclo[5.3.0]deca-9,11-dien-9-yl)-2-(4-methyl-1-piperidyl)acetamide, N-(3-cyano(4,5,6,7,8-pentahydrocyclohepta[1,2-d]thiophen-2-yl))-2-(4-methylpip eridyl)acetamide
| Molecular Formula | C18H25N3OS |
|---|---|
| Molecular Weight | 331.17 g/mol |
| LogP | 4.5 |
| Topological Polar Surface Area | 84.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 331.17184 |
| Heavy Atoms | 23 |
| Complexity | 466.0 |
Chemical Identifiers
| CAS Number | 315709-68-3 |
|---|---|
| SMILES | CC1CCN(CC1)CC(=O)NC2=C(C3=C(S2)CCCCC3)C#N |
| InChIKey | KUKBWZZMZKCEKL-UHFFFAOYSA-N |
Product Overview
AF-399/40654510 (CAS 315709-68-3), with molecular formula C18H25N3OS and molecular weight 331.17 g/mol. IUPAC: N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-(4-methylpiperidin-1-yl)acetamide.
Chemical Property Profile of AF-399/40654510
Property Insights of AF-399/40654510
The XLogP value of 4.5 indicates that AF-399/40654510 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 84.4 Ų falls within the moderate polarity range, balancing permeability and solubility for AF-399/40654510. Following Lipinski's Rule of Five, AF-399/40654510 has 1 hydrogen bond donor(s) and 4 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-399/40654510?
The CAS number of AF-399/40654510 is 315709-68-3.
What is the molecular formula of AF-399/40654510?
The molecular formula of AF-399/40654510 is C18H25N3OS.
What is the molecular weight of AF-399/40654510?
The molecular weight of AF-399/40654510 is 331.17 g/mol.
Where can I buy AF-399/40654510?
You can request a quote for AF-399/40654510 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AF-399/40654510?
Yes, KEHONG BIO provides custom synthesis services for AF-399/40654510 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.