AF-399/15335402
TL;DR: AF-399/15335402 (CAS 315696-21-0) is a chemical compound with molecular formula C26H22N4O2S3 and molecular weight 518.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-[(12-oxo-11-phenyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-10-yl)sulfanyl]acetamide
Also Known As: AF-399/15335402, N-(3-cyano-4,5,6,7-tetrahydro-1-benzothien-2-yl)-2-[(4-oxo-3-phenyl-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetamide, N-(3-Cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-[(12-oxo-11-phenyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-10-yl)sulfanyl]acetamide, N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-[(4-oxo-3-phenyl-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetamide, N-(3-cyano(4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl))-2-(4-oxo-3-phenyl(3,5,6,7 -tetrahydrocyclopenta[2,1-d]pyrimidino[4,5-b]thiophen-2-ylthio))acetamide
| Molecular Formula | C26H22N4O2S3 |
|---|---|
| Molecular Weight | 518.09 g/mol |
| LogP | 5.47868 |
| Topological Polar Surface Area | 87.78 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 518.0905 |
| Heavy Atoms | 35 |
| Complexity | 1559.6852 |
Chemical Identifiers
| CAS Number | 315696-21-0 |
|---|---|
| SMILES | C1CCC2=C(C1)C(=C(S2)NC(=O)CSC3=NC4=C(C5=C(S4)CCC5)C(=O)N3C6=CC=CC=C6)C#N |
Product Overview
AF-399/15335402 (CAS 315696-21-0), with molecular formula C26H22N4O2S3 and molecular weight 518.09 g/mol. IUPAC: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-[(12-oxo-11-phenyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-10-yl)sulfanyl]acetamide.
Chemical Property Profile of AF-399/15335402
Property Insights of AF-399/15335402
The XLogP value of 5.47868 indicates that AF-399/15335402 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 87.78 Ų falls within the moderate polarity range, balancing permeability and solubility for AF-399/15335402. Following Lipinski's Rule of Five, AF-399/15335402 has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AF-399/15335402?
The CAS number of AF-399/15335402 is 315696-21-0.
What is the molecular formula of AF-399/15335402?
The molecular formula of AF-399/15335402 is C26H22N4O2S3.
What is the molecular weight of AF-399/15335402?
The molecular weight of AF-399/15335402 is 518.09 g/mol.
Where can I buy AF-399/15335402?
You can request a quote for AF-399/15335402 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AF-399/15335402?
Yes, KEHONG BIO provides custom synthesis services for AF-399/15335402 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.