1-Methyl-4-phenyl-4-azocanecarbonitrile
TL;DR: 1-Methyl-4-phenyl-4-azocanecarbonitrile (CAS 7507-71-3) is a chemical compound with molecular formula C15H20N2 and molecular weight 228.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-methyl-4-phenylazocane-4-carbonitrile
Also Known As: 1-Methyl-4-phenyl-4-azocanecarbonitrile, 1-methyl-4-phenylazocane-4-carbonitrile, 1-methyl-4-phenyl-azocane-4-carbonitrile, NCI60_003770
| Molecular Formula | C15H20N2 |
|---|---|
| Molecular Weight | 228.16 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 27.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 228.16264 |
| Heavy Atoms | 17 |
| Complexity | 285.0 |
Chemical Identifiers
| CAS Number | 7507-71-3 |
|---|---|
| SMILES | CN1CCCCC(CC1)(C#N)C2=CC=CC=C2 |
| InChIKey | NAIUDPFISJVNOL-UHFFFAOYSA-N |
Product Overview
1-Methyl-4-phenyl-4-azocanecarbonitrile (CAS 7507-71-3), with molecular formula C15H20N2 and molecular weight 228.16 g/mol. IUPAC: 1-methyl-4-phenylazocane-4-carbonitrile.
Chemical Property Profile of 1-Methyl-4-phenyl-4-azocanecarbonitrile
Property Insights of 1-Methyl-4-phenyl-4-azocanecarbonitrile
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Methyl-4-phenyl-4-azocanecarbonitrile. With a topological polar surface area (TPSA) of 27.0 Ų, 1-Methyl-4-phenyl-4-azocanecarbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Methyl-4-phenyl-4-azocanecarbonitrile 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-Methyl-4-phenyl-4-azocanecarbonitrile?
The CAS number of 1-Methyl-4-phenyl-4-azocanecarbonitrile is 7507-71-3.
What is the molecular formula of 1-Methyl-4-phenyl-4-azocanecarbonitrile?
The molecular formula of 1-Methyl-4-phenyl-4-azocanecarbonitrile is C15H20N2.
What is the molecular weight of 1-Methyl-4-phenyl-4-azocanecarbonitrile?
The molecular weight of 1-Methyl-4-phenyl-4-azocanecarbonitrile is 228.16 g/mol.
Where can I buy 1-Methyl-4-phenyl-4-azocanecarbonitrile?
You can request a quote for 1-Methyl-4-phenyl-4-azocanecarbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Methyl-4-phenyl-4-azocanecarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 1-Methyl-4-phenyl-4-azocanecarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.