2-Imino-3-phenyl-3-propylcyclohexane-1-carbonitrile
TL;DR: 2-Imino-3-phenyl-3-propylcyclohexane-1-carbonitrile (CAS 18072-52-1) is a chemical compound with molecular formula C16H20N2 and molecular weight 240.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-imino-3-phenyl-3-propylcyclohexane-1-carbonitrile
Also Known As: 2-imino-3-phenyl-3-propylcyclohexane-1-carbonitrile
| Molecular Formula | C16H20N2 |
|---|---|
| Molecular Weight | 240.16 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 47.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 240.16264 |
| Heavy Atoms | 18 |
| Complexity | 345.0 |
Chemical Identifiers
| CAS Number | 18072-52-1 |
|---|---|
| SMILES | CCCC1(CCCC(C1=N)C#N)C2=CC=CC=C2 |
| InChIKey | UTJSPGMTVSPQJU-UHFFFAOYSA-N |
Product Overview
2-Imino-3-phenyl-3-propylcyclohexane-1-carbonitrile (CAS 18072-52-1), with molecular formula C16H20N2 and molecular weight 240.16 g/mol. IUPAC: 2-imino-3-phenyl-3-propylcyclohexane-1-carbonitrile.
Chemical Property Profile of 2-Imino-3-phenyl-3-propylcyclohexane-1-carbonitrile
Property Insights of 2-Imino-3-phenyl-3-propylcyclohexane-1-carbonitrile
The XLogP value of 4.0 indicates that 2-Imino-3-phenyl-3-propylcyclohexane-1-carbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 47.6 Ų, 2-Imino-3-phenyl-3-propylcyclohexane-1-carbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Imino-3-phenyl-3-propylcyclohexane-1-carbonitrile has 1 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 2-Imino-3-phenyl-3-propylcyclohexane-1-carbonitrile?
The CAS number of 2-Imino-3-phenyl-3-propylcyclohexane-1-carbonitrile is 18072-52-1.
What is the molecular formula of 2-Imino-3-phenyl-3-propylcyclohexane-1-carbonitrile?
The molecular formula of 2-Imino-3-phenyl-3-propylcyclohexane-1-carbonitrile is C16H20N2.
What is the molecular weight of 2-Imino-3-phenyl-3-propylcyclohexane-1-carbonitrile?
The molecular weight of 2-Imino-3-phenyl-3-propylcyclohexane-1-carbonitrile is 240.16 g/mol.
Where can I buy 2-Imino-3-phenyl-3-propylcyclohexane-1-carbonitrile?
You can request a quote for 2-Imino-3-phenyl-3-propylcyclohexane-1-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Imino-3-phenyl-3-propylcyclohexane-1-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-Imino-3-phenyl-3-propylcyclohexane-1-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.