![3-[(1R)-2-oxocyclohexyl]propanenitrile structure](/static/products/588/58800-16-1.png)
3-[(1R)-2-oxocyclohexyl]propanenitrile
TL;DR: 3-[(1R)-2-oxocyclohexyl]propanenitrile (CAS 58800-16-1) is a chemical compound with molecular formula C9H13NO and molecular weight 151.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(1R)-2-oxocyclohexyl]propanenitrile
Also Known As: 2-(2-Cyanethyl)cyclohexanone, 2-Oxocyclohexanepropiononitrile, 3-(2-Oxocyclohexyl)propanenitrile, 3-[(1R)-2-oxocyclohexyl]propanenitrile, 3-[(R)-2-Oxocyclohexyl]propanenitrile
| Molecular Formula | C9H13NO |
|---|---|
| Molecular Weight | 151.10 g/mol |
| LogP | 2.04948 |
| Topological Polar Surface Area | 40.86 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 151.09972 |
| Heavy Atoms | 11 |
| Complexity | 180.49197 |
Chemical Identifiers
| CAS Number | 58800-16-1 |
|---|---|
| SMILES | C1CCC(=O)[C@H](C1)CCC#N |
Product Overview
3-[(1R)-2-oxocyclohexyl]propanenitrile (CAS 58800-16-1), with molecular formula C9H13NO and molecular weight 151.10 g/mol. IUPAC: 3-[(1R)-2-oxocyclohexyl]propanenitrile.
Chemical Property Profile of 3-[(1R)-2-oxocyclohexyl]propanenitrile
Property Insights of 3-[(1R)-2-oxocyclohexyl]propanenitrile
The XLogP value of 2.04948 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-[(1R)-2-oxocyclohexyl]propanenitrile. With a topological polar surface area (TPSA) of 40.86 Ų, 3-[(1R)-2-oxocyclohexyl]propanenitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-[(1R)-2-oxocyclohexyl]propanenitrile 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-[(1R)-2-oxocyclohexyl]propanenitrile?
The CAS number of 3-[(1R)-2-oxocyclohexyl]propanenitrile is 58800-16-1.
What is the molecular formula of 3-[(1R)-2-oxocyclohexyl]propanenitrile?
The molecular formula of 3-[(1R)-2-oxocyclohexyl]propanenitrile is C9H13NO.
What is the molecular weight of 3-[(1R)-2-oxocyclohexyl]propanenitrile?
The molecular weight of 3-[(1R)-2-oxocyclohexyl]propanenitrile is 151.10 g/mol.
Where can I buy 3-[(1R)-2-oxocyclohexyl]propanenitrile?
You can request a quote for 3-[(1R)-2-oxocyclohexyl]propanenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[(1R)-2-oxocyclohexyl]propanenitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-[(1R)-2-oxocyclohexyl]propanenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.