![[1,1'-Biphenyl]-4-carbonitrile, 4'-[(2S)-2-methylbutyl]- structure](/static/products/6379/63799-11-1.webp)
[1,1'-Biphenyl]-4-carbonitrile, 4'-[(2S)-2-methylbutyl]-
TL;DR: [1,1'-Biphenyl]-4-carbonitrile, 4'-[(2S)-2-methylbutyl]- (CAS 63799-11-1) is a chemical compound with molecular formula C18H19N and molecular weight 249.15175 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-[4-[(2S)-2-methylbutyl]phenyl]benzonitrile
Also Known As: (S)-4'-(2-methylbutyl)-[1,1'-biphenyl]-4-carbonitrile, i5CB, (S)-4'-(2-Methylbutyl)[1,1'-biphenyl]-4-carbonitrile, (S)-4-Cyano-4'-(2-methylbutyl)biphenyl, 4-[4-[(2S)-2-methylbutyl]phenyl]benzonitrile
Application Areas
Top 5 of 3 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C18H19N |
| Molecular Weight | 249.15175 g/mol |
| XLogP | 5.4 |
| Topological Polar Surface Area (TPSA) | 23.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 249.15175 Da |
| Heavy Atoms | 19 |
| Complexity | 297.0 |
| SMILES | CC[C@H](C)CC1=CC=C(C=C1)C2=CC=C(C=C2)C#N |
| InChIKey | DNJQGRFZQMOYGM-AWEZNQCLSA-N |
Chemical Property Profile of [1,1'-Biphenyl]-4-carbonitrile, 4'-[(2S)-2-methylbutyl]-
Property Insights of [1,1'-Biphenyl]-4-carbonitrile, 4'-[(2S)-2-methylbutyl]-
The XLogP value of 5.4 indicates that [1,1'-Biphenyl]-4-carbonitrile, 4'-[(2S)-2-methylbutyl]- 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'-[(2S)-2-methylbutyl]- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, [1,1'-Biphenyl]-4-carbonitrile, 4'-[(2S)-2-methylbutyl]- has 0 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of [1,1'-Biphenyl]-4-carbonitrile, 4'-[(2S)-2-methylbutyl]-?
The CAS number of [1,1'-Biphenyl]-4-carbonitrile, 4'-[(2S)-2-methylbutyl]- is 63799-11-1.
What is the molecular formula of [1,1'-Biphenyl]-4-carbonitrile, 4'-[(2S)-2-methylbutyl]-?
The molecular formula of [1,1'-Biphenyl]-4-carbonitrile, 4'-[(2S)-2-methylbutyl]- is C18H19N.
What is the molecular weight of [1,1'-Biphenyl]-4-carbonitrile, 4'-[(2S)-2-methylbutyl]-?
The molecular weight of [1,1'-Biphenyl]-4-carbonitrile, 4'-[(2S)-2-methylbutyl]- is 249.15175 g/mol.
Where can I buy [1,1'-Biphenyl]-4-carbonitrile, 4'-[(2S)-2-methylbutyl]-?
You can request a quote for [1,1'-Biphenyl]-4-carbonitrile, 4'-[(2S)-2-methylbutyl]- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for [1,1'-Biphenyl]-4-carbonitrile, 4'-[(2S)-2-methylbutyl]-?
Yes, CoreyChem provides custom synthesis services for [1,1'-Biphenyl]-4-carbonitrile, 4'-[(2S)-2-methylbutyl]- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.