CBKinase1_000006
TL;DR: CBKinase1_000006 (CAS 161689-52-7) is a chemical compound with molecular formula C19H11ClN4O2S and molecular weight 394.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-amino-6-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-4-(furan-2-yl)pyridine-3,5-dicarbonitrile
Also Known As: CBKinase1_000006, CBKinase1_012406, BAS 01178619, AB00075344-01, BRD-K40608506-001-01-4
| Molecular Formula | C19H11ClN4O2S |
|---|---|
| Molecular Weight | 394.03 g/mol |
| LogP | 4.29556 |
| Topological Polar Surface Area | 116.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 394.0291 |
| Heavy Atoms | 27 |
| Complexity | 1080.8779 |
Chemical Identifiers
| CAS Number | 161689-52-7 |
|---|---|
| SMILES | C1=COC(=C1)C2=C(C(=NC(=C2C#N)SCC(=O)C3=CC=C(C=C3)Cl)N)C#N |
Product Overview
CBKinase1_000006 (CAS 161689-52-7), with molecular formula C19H11ClN4O2S and molecular weight 394.03 g/mol. IUPAC: 2-amino-6-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-4-(furan-2-yl)pyridine-3,5-dicarbonitrile.
Chemical Property Profile of CBKinase1_000006
Property Insights of CBKinase1_000006
The XLogP value of 4.29556 indicates that CBKinase1_000006 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 116.7 Ų falls within the moderate polarity range, balancing permeability and solubility for CBKinase1_000006. Following Lipinski's Rule of Five, CBKinase1_000006 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 CBKinase1_000006?
The CAS number of CBKinase1_000006 is 161689-52-7.
What is the molecular formula of CBKinase1_000006?
The molecular formula of CBKinase1_000006 is C19H11ClN4O2S.
What is the molecular weight of CBKinase1_000006?
The molecular weight of CBKinase1_000006 is 394.03 g/mol.
Where can I buy CBKinase1_000006?
You can request a quote for CBKinase1_000006 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_000006?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_000006 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.