![[1,1'-Biphenyl]-4-carbonitrile, 4'-dodecyl- structure](/static/products/5712/57125-49-2.webp)
[1,1'-Biphenyl]-4-carbonitrile, 4'-dodecyl-
TL;DR: [1,1'-Biphenyl]-4-carbonitrile, 4'-dodecyl- (CAS 57125-49-2) is a chemical compound with molecular formula C25H33N and molecular weight 347.26 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-dodecylphenyl)benzonitrile
Also Known As: 4-Cyano-4'-dodecylbiphenyl, 4-(4-dodecylphenyl)benzonitrile, 4'-DODECYL-[1,1'-BIPHENYL]-4-CARBONITRILE, CHES,SODIUMSALT, 12CB
| Molecular Formula | C25H33N |
|---|---|
| Molecular Weight | 347.26 g/mol |
| LogP | 9.5 |
| Topological Polar Surface Area | 23.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 12 |
| Exact Mass | 347.2613 |
| Heavy Atoms | 26 |
| Complexity | 376.0 |
Chemical Identifiers
| CAS Number | 57125-49-2 |
|---|---|
| SMILES | CCCCCCCCCCCCC1=CC=C(C=C1)C2=CC=C(C=C2)C#N |
| InChIKey | YTXPODSLSFRTBJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
[1,1'-Biphenyl]-4-carbonitrile, 4'-dodecyl- (CAS 57125-49-2), with molecular formula C25H33N and molecular weight 347.26 g/mol. IUPAC: 4-(4-dodecylphenyl)benzonitrile.
Chemical Property Profile of [1,1'-Biphenyl]-4-carbonitrile, 4'-dodecyl-
Property Insights of [1,1'-Biphenyl]-4-carbonitrile, 4'-dodecyl-
The XLogP value of 9.5 indicates that [1,1'-Biphenyl]-4-carbonitrile, 4'-dodecyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 23.8 Ų, [1,1'-Biphenyl]-4-carbonitrile, 4'-dodecyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, [1,1'-Biphenyl]-4-carbonitrile, 4'-dodecyl- has 0 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of [1,1'-Biphenyl]-4-carbonitrile, 4'-dodecyl-?
The CAS number of [1,1'-Biphenyl]-4-carbonitrile, 4'-dodecyl- is 57125-49-2.
What is the molecular formula of [1,1'-Biphenyl]-4-carbonitrile, 4'-dodecyl-?
The molecular formula of [1,1'-Biphenyl]-4-carbonitrile, 4'-dodecyl- is C25H33N.
What is the molecular weight of [1,1'-Biphenyl]-4-carbonitrile, 4'-dodecyl-?
The molecular weight of [1,1'-Biphenyl]-4-carbonitrile, 4'-dodecyl- is 347.26 g/mol.
Where can I buy [1,1'-Biphenyl]-4-carbonitrile, 4'-dodecyl-?
You can request a quote for [1,1'-Biphenyl]-4-carbonitrile, 4'-dodecyl- 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'-dodecyl-?
Yes, KEHONG BIO provides custom synthesis services for [1,1'-Biphenyl]-4-carbonitrile, 4'-dodecyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.