5-Chloro-2-ethoxybenzonitrile
TL;DR: 5-Chloro-2-ethoxybenzonitrile (CAS 938152-73-9) is a chemical compound with molecular formula C9H8ClNO and molecular weight 181.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-chloro-2-ethoxybenzonitrile
Also Known As: 5-chloro-2-ethoxybenzonitrile, 5-chloro-2-ethoxy-benzonitrile
| Molecular Formula | C9H8ClNO |
|---|---|
| Molecular Weight | 181.03 g/mol |
| LogP | 2.61038 |
| Topological Polar Surface Area | 33.02 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 181.02943 |
| Heavy Atoms | 12 |
| Complexity | 316.79483 |
Chemical Identifiers
| CAS Number | 938152-73-9 |
|---|---|
| SMILES | CCOC1=C(C=C(C=C1)Cl)C#N |
Product Overview
5-Chloro-2-ethoxybenzonitrile (CAS 938152-73-9), with molecular formula C9H8ClNO and molecular weight 181.03 g/mol. IUPAC: 5-chloro-2-ethoxybenzonitrile.
Chemical Property Profile of 5-Chloro-2-ethoxybenzonitrile
Property Insights of 5-Chloro-2-ethoxybenzonitrile
The XLogP value of 2.61038 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Chloro-2-ethoxybenzonitrile. With a topological polar surface area (TPSA) of 33.02 Ų, 5-Chloro-2-ethoxybenzonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Chloro-2-ethoxybenzonitrile 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 5-Chloro-2-ethoxybenzonitrile?
The CAS number of 5-Chloro-2-ethoxybenzonitrile is 938152-73-9.
What is the molecular formula of 5-Chloro-2-ethoxybenzonitrile?
The molecular formula of 5-Chloro-2-ethoxybenzonitrile is C9H8ClNO.
What is the molecular weight of 5-Chloro-2-ethoxybenzonitrile?
The molecular weight of 5-Chloro-2-ethoxybenzonitrile is 181.03 g/mol.
Where can I buy 5-Chloro-2-ethoxybenzonitrile?
You can request a quote for 5-Chloro-2-ethoxybenzonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Chloro-2-ethoxybenzonitrile?
Yes, KEHONG BIO provides custom synthesis services for 5-Chloro-2-ethoxybenzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.