CBKinase1_009716
TL;DR: CBKinase1_009716 (CAS 727689-83-0) is a chemical compound with molecular formula C25H25N3O2S and molecular weight 431.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-ethyl-7,7-dimethyl-2-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]sulfanyl-5-oxo-6,8-dihydroquinoline-3-carbonitrile
Also Known As: CBKinase1_009716, CBKinase1_022116, F3394-1264, BRD-K22341995-001-01-2, 4-ethyl-7,7-dimethyl-2-((2-(2-methyl-1H-indol-3-yl)-2-oxoethyl)thio)-5-oxo-5,6,7,8-tetrahydroquinoline-3-carbonitrile
| Molecular Formula | C25H25N3O2S |
|---|---|
| Molecular Weight | 431.17 g/mol |
| LogP | 5.4355 |
| Topological Polar Surface Area | 86.61 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 431.16675 |
| Heavy Atoms | 31 |
| Complexity | 1263.9883 |
Chemical Identifiers
| CAS Number | 727689-83-0 |
|---|---|
| SMILES | CCC1=C(C(=NC2=C1C(=O)CC(C2)(C)C)SCC(=O)C3=C(NC4=CC=CC=C43)C)C#N |
Product Overview
CBKinase1_009716 (CAS 727689-83-0), with molecular formula C25H25N3O2S and molecular weight 431.17 g/mol. IUPAC: 4-ethyl-7,7-dimethyl-2-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]sulfanyl-5-oxo-6,8-dihydroquinoline-3-carbonitrile.
Chemical Property Profile of CBKinase1_009716
Property Insights of CBKinase1_009716
The XLogP value of 5.4355 indicates that CBKinase1_009716 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 86.61 Ų falls within the moderate polarity range, balancing permeability and solubility for CBKinase1_009716. Following Lipinski's Rule of Five, CBKinase1_009716 has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of CBKinase1_009716?
The CAS number of CBKinase1_009716 is 727689-83-0.
What is the molecular formula of CBKinase1_009716?
The molecular formula of CBKinase1_009716 is C25H25N3O2S.
What is the molecular weight of CBKinase1_009716?
The molecular weight of CBKinase1_009716 is 431.17 g/mol.
Where can I buy CBKinase1_009716?
You can request a quote for CBKinase1_009716 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_009716?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_009716 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.