(1R,2R,5R)-2-methyl-3-oxo-5-(prop-1-en-2-yl)cyclohexane-1-carbonitrile
TL;DR: (1R,2R,5R)-2-methyl-3-oxo-5-(prop-1-en-2-yl)cyclohexane-1-carbonitrile (CAS 137625-67-3) is a chemical compound with molecular formula C11H15NO and molecular weight 177.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1R,2R,5R)-2-methyl-3-oxo-5-prop-1-en-2-ylcyclohexane-1-carbonitrile
Also Known As: (1R,2R,5R)-2-methyl-3-oxo-5-(prop-1-en-2-yl)cyclohexane-1-carbonitrile, 2beta-Methyl-5alpha-isopropenyl-3-oxocyclohexane-1beta-carbonitrile, (1R,2R,5R)-2-methyl-3-oxo-5-prop-1-en-2-ylcyclohexane-1-carbonitrile, 2beta-Methyl-5alpha-(1-methylethenyl)-3-oxo-1beta-cyclohexanecarbonitrile
| Molecular Formula | C11H15NO |
|---|---|
| Molecular Weight | 177.12 g/mol |
| LogP | 2.31748 |
| Topological Polar Surface Area | 40.86 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 177.11537 |
| Heavy Atoms | 13 |
| Complexity | 274.30508 |
Chemical Identifiers
| CAS Number | 137625-67-3 |
|---|---|
| SMILES | C[C@@H]1[C@@H](C[C@H](CC1=O)C(=C)C)C#N |
Product Overview
(1R,2R,5R)-2-methyl-3-oxo-5-(prop-1-en-2-yl)cyclohexane-1-carbonitrile (CAS 137625-67-3), with molecular formula C11H15NO and molecular weight 177.12 g/mol. IUPAC: (1R,2R,5R)-2-methyl-3-oxo-5-prop-1-en-2-ylcyclohexane-1-carbonitrile.
Chemical Property Profile of (1R,2R,5R)-2-methyl-3-oxo-5-(prop-1-en-2-yl)cyclohexane-1-carbonitrile
Property Insights of (1R,2R,5R)-2-methyl-3-oxo-5-(prop-1-en-2-yl)cyclohexane-1-carbonitrile
The XLogP value of 2.31748 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (1R,2R,5R)-2-methyl-3-oxo-5-(prop-1-en-2-yl)cyclohexane-1-carbonitrile. With a topological polar surface area (TPSA) of 40.86 Ų, (1R,2R,5R)-2-methyl-3-oxo-5-(prop-1-en-2-yl)cyclohexane-1-carbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (1R,2R,5R)-2-methyl-3-oxo-5-(prop-1-en-2-yl)cyclohexane-1-carbonitrile 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 (1R,2R,5R)-2-methyl-3-oxo-5-(prop-1-en-2-yl)cyclohexane-1-carbonitrile?
The CAS number of (1R,2R,5R)-2-methyl-3-oxo-5-(prop-1-en-2-yl)cyclohexane-1-carbonitrile is 137625-67-3.
What is the molecular formula of (1R,2R,5R)-2-methyl-3-oxo-5-(prop-1-en-2-yl)cyclohexane-1-carbonitrile?
The molecular formula of (1R,2R,5R)-2-methyl-3-oxo-5-(prop-1-en-2-yl)cyclohexane-1-carbonitrile is C11H15NO.
What is the molecular weight of (1R,2R,5R)-2-methyl-3-oxo-5-(prop-1-en-2-yl)cyclohexane-1-carbonitrile?
The molecular weight of (1R,2R,5R)-2-methyl-3-oxo-5-(prop-1-en-2-yl)cyclohexane-1-carbonitrile is 177.12 g/mol.
Where can I buy (1R,2R,5R)-2-methyl-3-oxo-5-(prop-1-en-2-yl)cyclohexane-1-carbonitrile?
You can request a quote for (1R,2R,5R)-2-methyl-3-oxo-5-(prop-1-en-2-yl)cyclohexane-1-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (1R,2R,5R)-2-methyl-3-oxo-5-(prop-1-en-2-yl)cyclohexane-1-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for (1R,2R,5R)-2-methyl-3-oxo-5-(prop-1-en-2-yl)cyclohexane-1-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.