4-Butoxybenzonitrile
TL;DR: 4-Butoxybenzonitrile (CAS 5203-14-5) is a chemical compound with molecular formula C11H13NO and molecular weight 175.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-butoxybenzonitrile
Also Known As: 4-Butoxybenzonitrile, 4-n-Butoxybenzonitrile, p-Butoxybenzonitrile, 4-Butoxy-benzonitrile, Benzonitrile, 4-butoxy-
| Molecular Formula | C11H13NO |
|---|---|
| Molecular Weight | 175.10 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 33.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 175.09972 |
| Heavy Atoms | 13 |
| Complexity | 174.0 |
Chemical Identifiers
| CAS Number | 5203-14-5 |
|---|---|
| SMILES | CCCCOC1=CC=C(C=C1)C#N |
| InChIKey | RRGQINKVTNAIBB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Butoxybenzonitrile (CAS 5203-14-5), with molecular formula C11H13NO and molecular weight 175.10 g/mol. IUPAC: 4-butoxybenzonitrile.
Chemical Property Profile of 4-Butoxybenzonitrile
Property Insights of 4-Butoxybenzonitrile
The XLogP value of 3.0 indicates that 4-Butoxybenzonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 33.0 Ų, 4-Butoxybenzonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Butoxybenzonitrile 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-Butoxybenzonitrile?
The CAS number of 4-Butoxybenzonitrile is 5203-14-5.
What is the molecular formula of 4-Butoxybenzonitrile?
The molecular formula of 4-Butoxybenzonitrile is C11H13NO.
What is the molecular weight of 4-Butoxybenzonitrile?
The molecular weight of 4-Butoxybenzonitrile is 175.10 g/mol.
Where can I buy 4-Butoxybenzonitrile?
You can request a quote for 4-Butoxybenzonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Butoxybenzonitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-Butoxybenzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.