AF-399/15335400
TL;DR: AF-399/15335400 (CAS 315707-94-9) is a chemical compound with molecular formula C25H20N4O2S3 and molecular weight 504.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-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-399/15335400, Acetamide, N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thien-2-yl)-2-[(3,5,6,7-tetrahydro-4-oxo-3-phenyl-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-yl)thio]-, N-(3-Cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-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, Acetamide, N-(3-cyano-5,6-dihydro-4H-cyclopenta(b)thien-2-yl)-2-((3,5,6,7-tetrahydro-4-oxo-3-phenyl-4H-cyclopenta(4,5)thieno(2,3-d)pyrimidin-2-yl)thio)-, N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thien-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
| Molecular Formula | C25H20N4O2S3 |
|---|---|
| Molecular Weight | 504.07 g/mol |
| LogP | 5.08858 |
| Topological Polar Surface Area | 87.78 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 504.07483 |
| Heavy Atoms | 34 |
| Complexity | 1542.6136 |
Chemical Identifiers
| CAS Number | 315707-94-9 |
|---|---|
| SMILES | C1CC2=C(C1)SC(=C2C#N)NC(=O)CSC3=NC4=C(C5=C(S4)CCC5)C(=O)N3C6=CC=CC=C6 |
Product Overview
AF-399/15335400 (CAS 315707-94-9), with molecular formula C25H20N4O2S3 and molecular weight 504.07 g/mol. IUPAC: N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-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-399/15335400
Property Insights of AF-399/15335400
The XLogP value of 5.08858 indicates that AF-399/15335400 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-399/15335400. Following Lipinski's Rule of Five, AF-399/15335400 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-399/15335400?
The CAS number of AF-399/15335400 is 315707-94-9.
What is the molecular formula of AF-399/15335400?
The molecular formula of AF-399/15335400 is C25H20N4O2S3.
What is the molecular weight of AF-399/15335400?
The molecular weight of AF-399/15335400 is 504.07 g/mol.
Where can I buy AF-399/15335400?
You can request a quote for AF-399/15335400 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AF-399/15335400?
Yes, KEHONG BIO provides custom synthesis services for AF-399/15335400 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.