3-(Cyclohexyloxy)propiononitrile
TL;DR: 3-(Cyclohexyloxy)propiononitrile (CAS 16728-52-2) is a chemical compound with molecular formula C9H15NO and molecular weight 153.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-cyclohexyloxypropanenitrile
Also Known As: 3-(cyclohexyloxy)propanenitrile, 3-(Cyclohexyloxy)propiononitrile, 3-cyclohexyloxypropanenitrile, Propanenitrile, 3-(cyclohexyloxy)-, 3-cyclohexyloxy-propionitrile
| Molecular Formula | C9H15NO |
|---|---|
| Molecular Weight | 153.12 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 33.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 153.11537 |
| Heavy Atoms | 11 |
| Complexity | 141.0 |
Chemical Identifiers
| CAS Number | 16728-52-2 |
|---|---|
| SMILES | C1CCC(CC1)OCCC#N |
| InChIKey | KIYRTZOGFLTVIC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-(Cyclohexyloxy)propiononitrile (CAS 16728-52-2), with molecular formula C9H15NO and molecular weight 153.12 g/mol. IUPAC: 3-cyclohexyloxypropanenitrile.
Chemical Property Profile of 3-(Cyclohexyloxy)propiononitrile
Property Insights of 3-(Cyclohexyloxy)propiononitrile
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(Cyclohexyloxy)propiononitrile. With a topological polar surface area (TPSA) of 33.0 Ų, 3-(Cyclohexyloxy)propiononitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(Cyclohexyloxy)propiononitrile 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 3-(Cyclohexyloxy)propiononitrile?
The CAS number of 3-(Cyclohexyloxy)propiononitrile is 16728-52-2.
What is the molecular formula of 3-(Cyclohexyloxy)propiononitrile?
The molecular formula of 3-(Cyclohexyloxy)propiononitrile is C9H15NO.
What is the molecular weight of 3-(Cyclohexyloxy)propiononitrile?
The molecular weight of 3-(Cyclohexyloxy)propiononitrile is 153.12 g/mol.
Where can I buy 3-(Cyclohexyloxy)propiononitrile?
You can request a quote for 3-(Cyclohexyloxy)propiononitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(Cyclohexyloxy)propiononitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-(Cyclohexyloxy)propiononitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.