AF-399/43344654
TL;DR: AF-399/43344654 (CAS 833440-35-0) is a chemical compound with molecular formula C15H13ClN4OS2 and molecular weight 364.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-chloro-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-methylsulfanylpyrimidine-4-carboxamide
Also Known As: AF-399/43344654, 5-chloro-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-methylsulfanylpyrimidine-4-carboxamide, 5-chloro-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothien-2-yl)-2-(methylsulfanyl)-4-pyrimidinecarboxamide, 5-chloro-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(methylsulfanyl)pyrimidine-4-carboxamide
| Molecular Formula | C15H13ClN4OS2 |
|---|---|
| Molecular Weight | 364.02 g/mol |
| LogP | 3.91618 |
| Topological Polar Surface Area | 78.67 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 364.02194 |
| Heavy Atoms | 23 |
| Complexity | 812.5387 |
Chemical Identifiers
| CAS Number | 833440-35-0 |
|---|---|
| SMILES | CSC1=NC=C(C(=N1)C(=O)NC2=C(C3=C(S2)CCCC3)C#N)Cl |
Product Overview
AF-399/43344654 (CAS 833440-35-0), with molecular formula C15H13ClN4OS2 and molecular weight 364.02 g/mol. IUPAC: 5-chloro-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-methylsulfanylpyrimidine-4-carboxamide.
Chemical Property Profile of AF-399/43344654
Property Insights of AF-399/43344654
The XLogP value of 3.91618 indicates that AF-399/43344654 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-399/43344654. Following Lipinski's Rule of Five, AF-399/43344654 has 1 hydrogen bond donor(s) and 6 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-399/43344654?
The CAS number of AF-399/43344654 is 833440-35-0.
What is the molecular formula of AF-399/43344654?
The molecular formula of AF-399/43344654 is C15H13ClN4OS2.
What is the molecular weight of AF-399/43344654?
The molecular weight of AF-399/43344654 is 364.02 g/mol.
Where can I buy AF-399/43344654?
You can request a quote for AF-399/43344654 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AF-399/43344654?
Yes, KEHONG BIO provides custom synthesis services for AF-399/43344654 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.