4-Chloro-gamma-ethoxybenzenebutanenitrile
TL;DR: 4-Chloro-gamma-ethoxybenzenebutanenitrile (CAS 6940-87-0) is a chemical compound with molecular formula C12H14ClNO and molecular weight 223.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-chlorophenyl)-4-ethoxybutanenitrile
Also Known As: 4-(4-chlorophenyl)-4-ethoxybutanenitrile, 4-Chloro-gamma-ethoxybenzenebutyronitrile, 4-Chloro-gamma-ethoxybenzenebutanenitrile, Acridine-3,6-diamine, sulfuric acid, 4-(4-Chloro-Phenyl)-4-Ethoxy-Butyronitrile
| Molecular Formula | C12H14ClNO |
|---|---|
| Molecular Weight | 223.08 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 33.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 223.07639 |
| Heavy Atoms | 15 |
| Complexity | 215.0 |
Chemical Identifiers
| CAS Number | 6940-87-0 |
|---|---|
| SMILES | CCOC(CCC#N)C1=CC=C(C=C1)Cl |
| InChIKey | VTJNWSPCFNYZEV-UHFFFAOYSA-N |
Product Overview
4-Chloro-gamma-ethoxybenzenebutanenitrile (CAS 6940-87-0), with molecular formula C12H14ClNO and molecular weight 223.08 g/mol. IUPAC: 4-(4-chlorophenyl)-4-ethoxybutanenitrile.
Chemical Property Profile of 4-Chloro-gamma-ethoxybenzenebutanenitrile
Property Insights of 4-Chloro-gamma-ethoxybenzenebutanenitrile
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Chloro-gamma-ethoxybenzenebutanenitrile. With a topological polar surface area (TPSA) of 33.0 Ų, 4-Chloro-gamma-ethoxybenzenebutanenitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Chloro-gamma-ethoxybenzenebutanenitrile has 0 hydrogen bond donor(s) and 2 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 4-Chloro-gamma-ethoxybenzenebutanenitrile?
The CAS number of 4-Chloro-gamma-ethoxybenzenebutanenitrile is 6940-87-0.
What is the molecular formula of 4-Chloro-gamma-ethoxybenzenebutanenitrile?
The molecular formula of 4-Chloro-gamma-ethoxybenzenebutanenitrile is C12H14ClNO.
What is the molecular weight of 4-Chloro-gamma-ethoxybenzenebutanenitrile?
The molecular weight of 4-Chloro-gamma-ethoxybenzenebutanenitrile is 223.08 g/mol.
Where can I buy 4-Chloro-gamma-ethoxybenzenebutanenitrile?
You can request a quote for 4-Chloro-gamma-ethoxybenzenebutanenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Chloro-gamma-ethoxybenzenebutanenitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-Chloro-gamma-ethoxybenzenebutanenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.