(1,1'-Biphenyl)-4-carbonitrile, 4'-butoxy-
TL;DR: (1,1'-Biphenyl)-4-carbonitrile, 4'-butoxy- (CAS 52709-87-2) is a chemical compound with molecular formula C17H17NO and molecular weight 251.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-butoxyphenyl)benzonitrile
Also Known As: 4'-Butoxy-[1,1'-biphenyl]-4-carbonitrile, 4-Butoxy-4'-cyanobiphenyl, 4-Butoxycyanodiphenyl, 4-(4-butoxyphenyl)benzonitrile, 4OCB
| Molecular Formula | C17H17NO |
|---|---|
| Molecular Weight | 251.13 g/mol |
| LogP | 4.5 |
| Topological Polar Surface Area | 33.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 251.13101 |
| Heavy Atoms | 19 |
| Complexity | 290.0 |
Chemical Identifiers
| CAS Number | 52709-87-2 |
|---|---|
| SMILES | CCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)C#N |
| InChIKey | KPQVQWUNELODQE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
(1,1'-Biphenyl)-4-carbonitrile, 4'-butoxy- (CAS 52709-87-2), with molecular formula C17H17NO and molecular weight 251.13 g/mol. IUPAC: 4-(4-butoxyphenyl)benzonitrile.
Chemical Property Profile of (1,1'-Biphenyl)-4-carbonitrile, 4'-butoxy-
Property Insights of (1,1'-Biphenyl)-4-carbonitrile, 4'-butoxy-
The XLogP value of 4.5 indicates that (1,1'-Biphenyl)-4-carbonitrile, 4'-butoxy- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 33.0 Ų, (1,1'-Biphenyl)-4-carbonitrile, 4'-butoxy- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (1,1'-Biphenyl)-4-carbonitrile, 4'-butoxy- 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 (1,1'-Biphenyl)-4-carbonitrile, 4'-butoxy-?
The CAS number of (1,1'-Biphenyl)-4-carbonitrile, 4'-butoxy- is 52709-87-2.
What is the molecular formula of (1,1'-Biphenyl)-4-carbonitrile, 4'-butoxy-?
The molecular formula of (1,1'-Biphenyl)-4-carbonitrile, 4'-butoxy- is C17H17NO.
What is the molecular weight of (1,1'-Biphenyl)-4-carbonitrile, 4'-butoxy-?
The molecular weight of (1,1'-Biphenyl)-4-carbonitrile, 4'-butoxy- is 251.13 g/mol.
Where can I buy (1,1'-Biphenyl)-4-carbonitrile, 4'-butoxy-?
You can request a quote for (1,1'-Biphenyl)-4-carbonitrile, 4'-butoxy- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (1,1'-Biphenyl)-4-carbonitrile, 4'-butoxy-?
Yes, KEHONG BIO provides custom synthesis services for (1,1'-Biphenyl)-4-carbonitrile, 4'-butoxy- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.