5-(4-Chlorobenzoyl)-5-(2-cyanoethyl)nonanedinitrile
TL;DR: 5-(4-Chlorobenzoyl)-5-(2-cyanoethyl)nonanedinitrile (CAS 611-76-7) is a chemical compound with molecular formula C19H20ClN3O and molecular weight 341.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(4-chlorobenzoyl)-5-(2-cyanoethyl)nonanedinitrile
Also Known As: 5-(4-chlorobenzoyl)-5-(2-cyanoethyl)nonanedinitrile, Nonanedinitrile,5-(4-chlorobenzoyl)-5-(2-cyanoethyl)-
| Molecular Formula | C19H20ClN3O |
|---|---|
| Molecular Weight | 341.13 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 88.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 10 |
| Exact Mass | 341.1295 |
| Heavy Atoms | 24 |
| Complexity | 529.0 |
Chemical Identifiers
| CAS Number | 611-76-7 |
|---|---|
| SMILES | C1=CC(=CC=C1C(=O)C(CCCC#N)(CCCC#N)CCC#N)Cl |
| InChIKey | AHIFSHNULBJNBV-UHFFFAOYSA-N |
Product Overview
5-(4-Chlorobenzoyl)-5-(2-cyanoethyl)nonanedinitrile (CAS 611-76-7), with molecular formula C19H20ClN3O and molecular weight 341.13 g/mol. IUPAC: 5-(4-chlorobenzoyl)-5-(2-cyanoethyl)nonanedinitrile.
Chemical Property Profile of 5-(4-Chlorobenzoyl)-5-(2-cyanoethyl)nonanedinitrile
Property Insights of 5-(4-Chlorobenzoyl)-5-(2-cyanoethyl)nonanedinitrile
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(4-Chlorobenzoyl)-5-(2-cyanoethyl)nonanedinitrile. The TPSA of 88.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(4-Chlorobenzoyl)-5-(2-cyanoethyl)nonanedinitrile. Following Lipinski's Rule of Five, 5-(4-Chlorobenzoyl)-5-(2-cyanoethyl)nonanedinitrile has 0 hydrogen bond donor(s) and 4 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 5-(4-Chlorobenzoyl)-5-(2-cyanoethyl)nonanedinitrile?
The CAS number of 5-(4-Chlorobenzoyl)-5-(2-cyanoethyl)nonanedinitrile is 611-76-7.
What is the molecular formula of 5-(4-Chlorobenzoyl)-5-(2-cyanoethyl)nonanedinitrile?
The molecular formula of 5-(4-Chlorobenzoyl)-5-(2-cyanoethyl)nonanedinitrile is C19H20ClN3O.
What is the molecular weight of 5-(4-Chlorobenzoyl)-5-(2-cyanoethyl)nonanedinitrile?
The molecular weight of 5-(4-Chlorobenzoyl)-5-(2-cyanoethyl)nonanedinitrile is 341.13 g/mol.
Where can I buy 5-(4-Chlorobenzoyl)-5-(2-cyanoethyl)nonanedinitrile?
You can request a quote for 5-(4-Chlorobenzoyl)-5-(2-cyanoethyl)nonanedinitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(4-Chlorobenzoyl)-5-(2-cyanoethyl)nonanedinitrile?
Yes, KEHONG BIO provides custom synthesis services for 5-(4-Chlorobenzoyl)-5-(2-cyanoethyl)nonanedinitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.