5-Acetyl-2-chloro-3-ethyl-4-hydroxybenzonitrile
TL;DR: 5-Acetyl-2-chloro-3-ethyl-4-hydroxybenzonitrile (CAS 115651-35-9) is a chemical compound with molecular formula C11H10ClNO2 and molecular weight 223.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-acetyl-2-chloro-3-ethyl-4-hydroxybenzonitrile
Also Known As: 5-acetyl-2-chloro-3-ethyl-4-hydroxy-benzonitrile, 5-acetyl-2-chloro-3-ethyl-4-hydroxybenzonitrile
| Molecular Formula | C11H10ClNO2 |
|---|---|
| Molecular Weight | 223.04 g/mol |
| LogP | 2.68228 |
| Topological Polar Surface Area | 61.09 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 223.04001 |
| Heavy Atoms | 15 |
| Complexity | 460.63623 |
Chemical Identifiers
| CAS Number | 115651-35-9 |
|---|---|
| SMILES | CCC1=C(C(=CC(=C1O)C(=O)C)C#N)Cl |
Product Overview
5-Acetyl-2-chloro-3-ethyl-4-hydroxybenzonitrile (CAS 115651-35-9), with molecular formula C11H10ClNO2 and molecular weight 223.04 g/mol. IUPAC: 5-acetyl-2-chloro-3-ethyl-4-hydroxybenzonitrile.
Chemical Property Profile of 5-Acetyl-2-chloro-3-ethyl-4-hydroxybenzonitrile
Property Insights of 5-Acetyl-2-chloro-3-ethyl-4-hydroxybenzonitrile
The XLogP value of 2.68228 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Acetyl-2-chloro-3-ethyl-4-hydroxybenzonitrile. The TPSA of 61.09 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Acetyl-2-chloro-3-ethyl-4-hydroxybenzonitrile. Following Lipinski's Rule of Five, 5-Acetyl-2-chloro-3-ethyl-4-hydroxybenzonitrile has 1 hydrogen bond donor(s) and 3 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-Acetyl-2-chloro-3-ethyl-4-hydroxybenzonitrile?
The CAS number of 5-Acetyl-2-chloro-3-ethyl-4-hydroxybenzonitrile is 115651-35-9.
What is the molecular formula of 5-Acetyl-2-chloro-3-ethyl-4-hydroxybenzonitrile?
The molecular formula of 5-Acetyl-2-chloro-3-ethyl-4-hydroxybenzonitrile is C11H10ClNO2.
What is the molecular weight of 5-Acetyl-2-chloro-3-ethyl-4-hydroxybenzonitrile?
The molecular weight of 5-Acetyl-2-chloro-3-ethyl-4-hydroxybenzonitrile is 223.04 g/mol.
Where can I buy 5-Acetyl-2-chloro-3-ethyl-4-hydroxybenzonitrile?
You can request a quote for 5-Acetyl-2-chloro-3-ethyl-4-hydroxybenzonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Acetyl-2-chloro-3-ethyl-4-hydroxybenzonitrile?
Yes, KEHONG BIO provides custom synthesis services for 5-Acetyl-2-chloro-3-ethyl-4-hydroxybenzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.