(1-Benzylcyclohexyl)propanedinitrile
TL;DR: (1-Benzylcyclohexyl)propanedinitrile (CAS 127025-63-2) is a chemical compound with molecular formula C16H18N2 and molecular weight 238.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1-benzylcyclohexyl)propanedinitrile
Also Known As: 2-(1-benzylcyclohexyl)malononitrile, (1-benzylcyclohexyl)propanedinitrile, 2-(1-benzylcyclohexyl)propanedinitrile, AJ-292/11338059
| Molecular Formula | C16H18N2 |
|---|---|
| Molecular Weight | 238.15 g/mol |
| LogP | 3.84296 |
| Topological Polar Surface Area | 47.58 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 238.147 |
| Heavy Atoms | 18 |
| Complexity | 444.1106 |
Chemical Identifiers
| CAS Number | 127025-63-2 |
|---|---|
| SMILES | C1CCC(CC1)(CC2=CC=CC=C2)C(C#N)C#N |
Product Overview
(1-Benzylcyclohexyl)propanedinitrile (CAS 127025-63-2), with molecular formula C16H18N2 and molecular weight 238.15 g/mol. IUPAC: 2-(1-benzylcyclohexyl)propanedinitrile.
Chemical Property Profile of (1-Benzylcyclohexyl)propanedinitrile
Property Insights of (1-Benzylcyclohexyl)propanedinitrile
The XLogP value of 3.84296 indicates that (1-Benzylcyclohexyl)propanedinitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 47.58 Ų, (1-Benzylcyclohexyl)propanedinitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (1-Benzylcyclohexyl)propanedinitrile 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-Benzylcyclohexyl)propanedinitrile?
The CAS number of (1-Benzylcyclohexyl)propanedinitrile is 127025-63-2.
What is the molecular formula of (1-Benzylcyclohexyl)propanedinitrile?
The molecular formula of (1-Benzylcyclohexyl)propanedinitrile is C16H18N2.
What is the molecular weight of (1-Benzylcyclohexyl)propanedinitrile?
The molecular weight of (1-Benzylcyclohexyl)propanedinitrile is 238.15 g/mol.
Where can I buy (1-Benzylcyclohexyl)propanedinitrile?
You can request a quote for (1-Benzylcyclohexyl)propanedinitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (1-Benzylcyclohexyl)propanedinitrile?
Yes, KEHONG BIO provides custom synthesis services for (1-Benzylcyclohexyl)propanedinitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.