γ-甲基苯己腈
TL;DR: γ-甲基苯己腈 (CAS 68555-31-7) is a chemical compound with molecular formula C13H17N and molecular weight 187.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
γ-甲基苯己腈
4-methyl-6-phenylhexanenitrile
Also Known As: gamma-Methylbenzenehexanenitrile, 4-methyl-6-phenylhexanenitrile, Benzenehexanenitrile, .gamma.-methyl-, Benzenehexanenitrile, gamma-methyl-, benzenehexanenitrile,
| Molecular Formula | C13H17N |
|---|---|
| Molecular Weight | 187.14 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 23.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 5 |
| Exact Mass | 187.1361 |
| Heavy Atoms | 14 |
| Complexity | 183.0 |
Chemical Identifiers
| CAS Number | 68555-31-7 |
|---|---|
| SMILES | CC(CCC#N)CCC1=CC=CC=C1 |
| InChIKey | MJQFJAHXUKARCW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
γ-甲基苯己腈 (CAS 68555-31-7), with molecular formula C13H17N and molecular weight 187.14 g/mol. IUPAC: 4-methyl-6-phenylhexanenitrile.
Chemical Property Profile of γ-甲基苯己腈
Property Insights of γ-甲基苯己腈
The XLogP value of 3.6 indicates that γ-甲基苯己腈 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 23.8 Ų, γ-甲基苯己腈 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, γ-甲基苯己腈 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 γ-甲基苯己腈?
The CAS number of γ-甲基苯己腈 is 68555-31-7.
What is the molecular formula of γ-甲基苯己腈?
The molecular formula of γ-甲基苯己腈 is C13H17N.
What is the molecular weight of γ-甲基苯己腈?
The molecular weight of γ-甲基苯己腈 is 187.14 g/mol.
Where can I buy γ-甲基苯己腈?
You can request a quote for γ-甲基苯己腈 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for γ-甲基苯己腈?
Yes, KEHONG BIO provides custom synthesis services for γ-甲基苯己腈 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.