4-联苯乙腈
TL;DR: 4-联苯乙腈 (CAS 31603-77-7) is a chemical compound with molecular formula C14H11N and molecular weight 193.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-联苯乙腈
2-(4-phenylphenyl)acetonitrile
Also Known As: 4-Biphenylacetonitrile, 2-([1,1'-Biphenyl]-4-yl)acetonitrile, p-Biphenylacetonitrile, 2-(4-phenylphenyl)acetonitrile, 4-Iodo-o-xylene
| Molecular Formula | C14H11N |
|---|---|
| Molecular Weight | 193.09 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 23.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 193.08914 |
| Heavy Atoms | 15 |
| Complexity | 223.0 |
Chemical Identifiers
| CAS Number | 31603-77-7 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=CC=C(C=C2)CC#N |
| InChIKey | HSZCNGTZJWZAMF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-联苯乙腈 (CAS 31603-77-7), with molecular formula C14H11N and molecular weight 193.09 g/mol. IUPAC: 2-(4-phenylphenyl)acetonitrile.
Chemical Property Profile of 4-联苯乙腈
Property Insights of 4-联苯乙腈
The XLogP value of 3.2 indicates that 4-联苯乙腈 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-联苯乙腈 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-联苯乙腈 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-联苯乙腈?
The CAS number of 4-联苯乙腈 is 31603-77-7.
What is the molecular formula of 4-联苯乙腈?
The molecular formula of 4-联苯乙腈 is C14H11N.
What is the molecular weight of 4-联苯乙腈?
The molecular weight of 4-联苯乙腈 is 193.09 g/mol.
Where can I buy 4-联苯乙腈?
You can request a quote for 4-联苯乙腈 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-联苯乙腈?
Yes, KEHONG BIO provides custom synthesis services for 4-联苯乙腈 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.