CBKinase1_008497
TL;DR: CBKinase1_008497 (CAS 445391-18-4) is a chemical compound with molecular formula C14H13ClN4O2S3 and molecular weight 399.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-amino-4-[2-(4-chlorophenyl)sulfonylethylsulfanyl]-6-methylsulfanylpyrimidine-5-carbonitrile
Also Known As: CBKinase1_008497, CBKinase1_020897, AM-807/41062916, 2-amino-4-[2-(4-chlorophenyl)sulfonylethylsulfanyl]-6-methylsulfanylpyrimidine-5-carbonitrile, BRD-K56028481-001-01-5
| Molecular Formula | C14H13ClN4O2S3 |
|---|---|
| Molecular Weight | 399.99 g/mol |
| LogP | 2.87178 |
| Topological Polar Surface Area | 109.73 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 399.98892 |
| Heavy Atoms | 24 |
| Complexity | 880.1279 |
Chemical Identifiers
| CAS Number | 445391-18-4 |
|---|---|
| SMILES | CSC1=C(C(=NC(=N1)N)SCCS(=O)(=O)C2=CC=C(C=C2)Cl)C#N |
Product Overview
CBKinase1_008497 (CAS 445391-18-4), with molecular formula C14H13ClN4O2S3 and molecular weight 399.99 g/mol. IUPAC: 2-amino-4-[2-(4-chlorophenyl)sulfonylethylsulfanyl]-6-methylsulfanylpyrimidine-5-carbonitrile.
Chemical Property Profile of CBKinase1_008497
Property Insights of CBKinase1_008497
The XLogP value of 2.87178 suggests moderate lipophilicity, balancing water solubility and membrane permeability for CBKinase1_008497. The TPSA of 109.73 Ų falls within the moderate polarity range, balancing permeability and solubility for CBKinase1_008497. Following Lipinski's Rule of Five, CBKinase1_008497 has 1 hydrogen bond donor(s) and 8 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 CBKinase1_008497?
The CAS number of CBKinase1_008497 is 445391-18-4.
What is the molecular formula of CBKinase1_008497?
The molecular formula of CBKinase1_008497 is C14H13ClN4O2S3.
What is the molecular weight of CBKinase1_008497?
The molecular weight of CBKinase1_008497 is 399.99 g/mol.
Where can I buy CBKinase1_008497?
You can request a quote for CBKinase1_008497 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_008497?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_008497 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.