AF-399/15335211
TL;DR: AF-399/15335211 (CAS 378193-90-9) is a chemical compound with molecular formula C20H18N4OS3 and molecular weight 426.06 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-(7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-12-ylsulfanyl)acetamide
Also Known As: AF-399/15335211, F1142-5662, N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-{7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(8),2(6),9,11-tetraen-12-ylsulfanyl}acetamide, N-(3-cyano-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)-2-((6,7-dihydro-5H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-yl)thio)acetamide, N-(3-cyano-4,5,6,7-tetrahydro-1-benzothien-2-yl)-2-(6,7-dihydro-5H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-ylsulfanyl)acetamide
| Molecular Formula | C20H18N4OS3 |
|---|---|
| Molecular Weight | 426.06 g/mol |
| LogP | 4.72278 |
| Topological Polar Surface Area | 78.67 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 426.06427 |
| Heavy Atoms | 28 |
| Complexity | 1124.8566 |
Chemical Identifiers
| CAS Number | 378193-90-9 |
|---|---|
| SMILES | C1CCC2=C(C1)C(=C(S2)NC(=O)CSC3=NC=NC4=C3C5=C(S4)CCC5)C#N |
Product Overview
AF-399/15335211 (CAS 378193-90-9), with molecular formula C20H18N4OS3 and molecular weight 426.06 g/mol. IUPAC: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-12-ylsulfanyl)acetamide.
Chemical Property Profile of AF-399/15335211
Property Insights of AF-399/15335211
The XLogP value of 4.72278 indicates that AF-399/15335211 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.67 Ų falls within the moderate polarity range, balancing permeability and solubility for AF-399/15335211. Following Lipinski's Rule of Five, AF-399/15335211 has 1 hydrogen bond donor(s) and 7 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-399/15335211?
The CAS number of AF-399/15335211 is 378193-90-9.
What is the molecular formula of AF-399/15335211?
The molecular formula of AF-399/15335211 is C20H18N4OS3.
What is the molecular weight of AF-399/15335211?
The molecular weight of AF-399/15335211 is 426.06 g/mol.
Where can I buy AF-399/15335211?
You can request a quote for AF-399/15335211 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AF-399/15335211?
Yes, KEHONG BIO provides custom synthesis services for AF-399/15335211 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.