CBKinase1_004247
TL;DR: CBKinase1_004247 (CAS 439093-46-6) is a chemical compound with molecular formula C22H20N2O5 and molecular weight 392.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[3-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl]-3-hydroxy-2-oxoindol-1-yl]butanenitrile
Also Known As: CBKinase1_004247, CBKinase1_016647, 4-{3-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl]-3-hydroxy-2-oxo-2,3-dihydro-1H-indol-1-yl}butanenitrile, BRD-A76555544-001-01-0, 4-[3-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl]-3-hydroxy-2-oxoindol-1-yl]butanenitrile
| Molecular Formula | C22H20N2O5 |
|---|---|
| Molecular Weight | 392.14 g/mol |
| LogP | 2.56878 |
| Topological Polar Surface Area | 99.86 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 392.1372 |
| Heavy Atoms | 29 |
| Complexity | 1012.5025 |
Chemical Identifiers
| CAS Number | 439093-46-6 |
|---|---|
| SMILES | C1COC2=C(O1)C=CC(=C2)C(=O)CC3(C4=CC=CC=C4N(C3=O)CCCC#N)O |
Product Overview
CBKinase1_004247 (CAS 439093-46-6), with molecular formula C22H20N2O5 and molecular weight 392.14 g/mol. IUPAC: 4-[3-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl]-3-hydroxy-2-oxoindol-1-yl]butanenitrile.
Chemical Property Profile of CBKinase1_004247
Property Insights of CBKinase1_004247
The XLogP value of 2.56878 suggests moderate lipophilicity, balancing water solubility and membrane permeability for CBKinase1_004247. The TPSA of 99.86 Ų falls within the moderate polarity range, balancing permeability and solubility for CBKinase1_004247. Following Lipinski's Rule of Five, CBKinase1_004247 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_004247?
The CAS number of CBKinase1_004247 is 439093-46-6.
What is the molecular formula of CBKinase1_004247?
The molecular formula of CBKinase1_004247 is C22H20N2O5.
What is the molecular weight of CBKinase1_004247?
The molecular weight of CBKinase1_004247 is 392.14 g/mol.
Where can I buy CBKinase1_004247?
You can request a quote for CBKinase1_004247 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_004247?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_004247 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.