(1,1'-联苯)-4-甲腈4'-丙氧基-
TL;DR: (1,1'-联苯)-4-甲腈4'-丙氧基- (CAS 52709-86-1) is a chemical compound with molecular formula C16H15NO and molecular weight 237.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1,1'-联苯)-4-甲腈4'-丙氧基-
4-(4-propoxyphenyl)benzonitrile
Also Known As: 4'-Propoxy-[1,1'-biphenyl]-4-carbonitrile, 4-propoxy-4'-cyanobiphenyl, 4-Propoxycyanodiphenyl, 3OCB, 4-Cyano-4'-propoxybiphenyl
| Molecular Formula | C16H15NO |
|---|---|
| Molecular Weight | 237.12 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 33.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 237.11537 |
| Heavy Atoms | 18 |
| Complexity | 277.0 |
Chemical Identifiers
| CAS Number | 52709-86-1 |
|---|---|
| SMILES | CCCOC1=CC=C(C=C1)C2=CC=C(C=C2)C#N |
| InChIKey | RZCQJZFWJZHMPK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
(1,1'-联苯)-4-甲腈4'-丙氧基- (CAS 52709-86-1), with molecular formula C16H15NO and molecular weight 237.12 g/mol. IUPAC: 4-(4-propoxyphenyl)benzonitrile.
Chemical Property Profile of (1,1'-联苯)-4-甲腈4'-丙氧基-
Property Insights of (1,1'-联苯)-4-甲腈4'-丙氧基-
The XLogP value of 4.1 indicates that (1,1'-联苯)-4-甲腈4'-丙氧基- 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'-联苯)-4-甲腈4'-丙氧基- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (1,1'-联苯)-4-甲腈4'-丙氧基- 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'-联苯)-4-甲腈4'-丙氧基-?
The CAS number of (1,1'-联苯)-4-甲腈4'-丙氧基- is 52709-86-1.
What is the molecular formula of (1,1'-联苯)-4-甲腈4'-丙氧基-?
The molecular formula of (1,1'-联苯)-4-甲腈4'-丙氧基- is C16H15NO.
What is the molecular weight of (1,1'-联苯)-4-甲腈4'-丙氧基-?
The molecular weight of (1,1'-联苯)-4-甲腈4'-丙氧基- is 237.12 g/mol.
Where can I buy (1,1'-联苯)-4-甲腈4'-丙氧基-?
You can request a quote for (1,1'-联苯)-4-甲腈4'-丙氧基- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (1,1'-联苯)-4-甲腈4'-丙氧基-?
Yes, KEHONG BIO provides custom synthesis services for (1,1'-联苯)-4-甲腈4'-丙氧基- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.