CBKinase1_004130
TL;DR: CBKinase1_004130 (CAS 439093-52-4) is a chemical compound with molecular formula C18H15BrN2O3S and molecular weight 418.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[3-[2-(5-bromothiophen-2-yl)-2-oxoethyl]-3-hydroxy-2-oxoindol-1-yl]butanenitrile
Also Known As: CBKinase1_004130, CBKinase1_016530, BRD-A27757921-001-01-5, 4-{3-[2-(5-bromothiophen-2-yl)-2-oxoethyl]-3-hydroxy-2-oxo-2,3-dihydro-1H-indol-1-yl}butanenitrile, 4-[3-[2-(5-bromothiophen-2-yl)-2-oxoethyl]-3-hydroxy-2-oxoindol-1-yl]butanenitrile
| Molecular Formula | C18H15BrN2O3S |
|---|---|
| Molecular Weight | 418.00 g/mol |
| LogP | 3.62158 |
| Topological Polar Surface Area | 81.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 417.9987 |
| Heavy Atoms | 25 |
| Complexity | 873.2013 |
Chemical Identifiers
| CAS Number | 439093-52-4 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(C(=O)N2CCCC#N)(CC(=O)C3=CC=C(S3)Br)O |
Product Overview
CBKinase1_004130 (CAS 439093-52-4), with molecular formula C18H15BrN2O3S and molecular weight 418.00 g/mol. IUPAC: 4-[3-[2-(5-bromothiophen-2-yl)-2-oxoethyl]-3-hydroxy-2-oxoindol-1-yl]butanenitrile.
Chemical Property Profile of CBKinase1_004130
Property Insights of CBKinase1_004130
The XLogP value of 3.62158 indicates that CBKinase1_004130 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.4 Ų falls within the moderate polarity range, balancing permeability and solubility for CBKinase1_004130. Following Lipinski's Rule of Five, CBKinase1_004130 has 1 hydrogen bond donor(s) and 5 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_004130?
The CAS number of CBKinase1_004130 is 439093-52-4.
What is the molecular formula of CBKinase1_004130?
The molecular formula of CBKinase1_004130 is C18H15BrN2O3S.
What is the molecular weight of CBKinase1_004130?
The molecular weight of CBKinase1_004130 is 418.00 g/mol.
Where can I buy CBKinase1_004130?
You can request a quote for CBKinase1_004130 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_004130?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_004130 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.