CBKinase1_011891
TL;DR: CBKinase1_011891 (CAS 717835-50-2) is a chemical compound with molecular formula C22H22N2O5 and molecular weight 394.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[3-[2-(2,4-dimethoxyphenyl)-2-oxoethyl]-3-hydroxy-2-oxoindol-1-yl]butanenitrile
Also Known As: CBKinase1_011891, CBKinase1_024291, BRD-A72456213-001-01-5, 4-{3-[2-(2,4-dimethoxyphenyl)-2-oxoethyl]-3-hydroxy-2-oxo-2,3-dihydro-1H-indol-1-yl}butanenitrile, 4-[3-[2-(2,4-dimethoxyphenyl)-2-oxoethyl]-3-hydroxy-2-oxoindol-1-yl]butanenitrile
| Molecular Formula | C22H22N2O5 |
|---|---|
| Molecular Weight | 394.15 g/mol |
| LogP | 2.81478 |
| Topological Polar Surface Area | 99.86 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 394.15286 |
| Heavy Atoms | 29 |
| Complexity | 981.4082 |
Chemical Identifiers
| CAS Number | 717835-50-2 |
|---|---|
| SMILES | COC1=CC(=C(C=C1)C(=O)CC2(C3=CC=CC=C3N(C2=O)CCCC#N)O)OC |
Product Overview
CBKinase1_011891 (CAS 717835-50-2), with molecular formula C22H22N2O5 and molecular weight 394.15 g/mol. IUPAC: 4-[3-[2-(2,4-dimethoxyphenyl)-2-oxoethyl]-3-hydroxy-2-oxoindol-1-yl]butanenitrile.
Chemical Property Profile of CBKinase1_011891
Property Insights of CBKinase1_011891
The XLogP value of 2.81478 suggests moderate lipophilicity, balancing water solubility and membrane permeability for CBKinase1_011891. The TPSA of 99.86 Ų falls within the moderate polarity range, balancing permeability and solubility for CBKinase1_011891. Following Lipinski's Rule of Five, CBKinase1_011891 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 CBKinase1_011891?
The CAS number of CBKinase1_011891 is 717835-50-2.
What is the molecular formula of CBKinase1_011891?
The molecular formula of CBKinase1_011891 is C22H22N2O5.
What is the molecular weight of CBKinase1_011891?
The molecular weight of CBKinase1_011891 is 394.15 g/mol.
Where can I buy CBKinase1_011891?
You can request a quote for CBKinase1_011891 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_011891?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_011891 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.