4-Propoxybenzonitrile
TL;DR: 4-Propoxybenzonitrile (CAS 60758-84-1) is a chemical compound with molecular formula C10H11NO and molecular weight 161.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-propoxybenzonitrile
Also Known As: 4-propoxybenzonitrile, 4-n-Propoxybenzonitrile, 4-Propoxy-benzonitrile, 4-Propyloxybenzonitrile, P-PROPOXYBENZONITRILE
| Molecular Formula | C10H11NO |
|---|---|
| Molecular Weight | 161.08 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 33.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 161.08406 |
| Heavy Atoms | 12 |
| Complexity | 162.0 |
Chemical Identifiers
| CAS Number | 60758-84-1 |
|---|---|
| SMILES | CCCOC1=CC=C(C=C1)C#N |
| InChIKey | VYOPNUZYNSNYRA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Propoxybenzonitrile (CAS 60758-84-1), with molecular formula C10H11NO and molecular weight 161.08 g/mol. IUPAC: 4-propoxybenzonitrile.
Chemical Property Profile of 4-Propoxybenzonitrile
Property Insights of 4-Propoxybenzonitrile
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Propoxybenzonitrile. With a topological polar surface area (TPSA) of 33.0 Ų, 4-Propoxybenzonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Propoxybenzonitrile 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-Propoxybenzonitrile?
The CAS number of 4-Propoxybenzonitrile is 60758-84-1.
What is the molecular formula of 4-Propoxybenzonitrile?
The molecular formula of 4-Propoxybenzonitrile is C10H11NO.
What is the molecular weight of 4-Propoxybenzonitrile?
The molecular weight of 4-Propoxybenzonitrile is 161.08 g/mol.
Where can I buy 4-Propoxybenzonitrile?
You can request a quote for 4-Propoxybenzonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Propoxybenzonitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-Propoxybenzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.