4-丁基苯甲腈
TL;DR: 4-丁基苯甲腈 (CAS 20651-73-4) is a chemical compound with molecular formula C11H13N and molecular weight 159.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-丁基苯甲腈
4-butylbenzonitrile
Also Known As: 4-Butylbenzonitrile, Benzonitrile, 4-butyl-, 4-n-Butylbenzonitrile, Benzonitrile,4-butyl-, p-Butylbenzonitrile
| Molecular Formula | C11H13N |
|---|---|
| Molecular Weight | 159.10 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 23.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 159.1048 |
| Heavy Atoms | 12 |
| Complexity | 157.0 |
Chemical Identifiers
| CAS Number | 20651-73-4 |
|---|---|
| SMILES | CCCCC1=CC=C(C=C1)C#N |
| InChIKey | KGZNJCXNPLUEQS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-丁基苯甲腈 (CAS 20651-73-4), with molecular formula C11H13N and molecular weight 159.10 g/mol. IUPAC: 4-butylbenzonitrile.
Chemical Property Profile of 4-丁基苯甲腈
Property Insights of 4-丁基苯甲腈
The XLogP value of 3.4 indicates that 4-丁基苯甲腈 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 23.8 Ų, 4-丁基苯甲腈 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-丁基苯甲腈 has 0 hydrogen bond donor(s) and 1 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-丁基苯甲腈?
The CAS number of 4-丁基苯甲腈 is 20651-73-4.
What is the molecular formula of 4-丁基苯甲腈?
The molecular formula of 4-丁基苯甲腈 is C11H13N.
What is the molecular weight of 4-丁基苯甲腈?
The molecular weight of 4-丁基苯甲腈 is 159.10 g/mol.
Where can I buy 4-丁基苯甲腈?
You can request a quote for 4-丁基苯甲腈 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-丁基苯甲腈?
Yes, KEHONG BIO provides custom synthesis services for 4-丁基苯甲腈 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.