3-(2-Hydroxy-4-methyl-6-oxocyclohexen-1-yl)propanenitrile
TL;DR: 3-(2-Hydroxy-4-methyl-6-oxocyclohexen-1-yl)propanenitrile (CAS 83532-70-1) is a chemical compound with molecular formula C10H13NO2 and molecular weight 179.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2-hydroxy-4-methyl-6-oxocyclohexen-1-yl)propanenitrile
Also Known As: 3-(2-hydroxy-4-methyl-6-oxocyclohexen-1-yl)propanenitrile, 3-(2-hydroxy-4-methyl-6-oxocyclohex-1-en-1-yl)propanenitrile
| Molecular Formula | C10H13NO2 |
|---|---|
| Molecular Weight | 179.09 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 61.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 179.09464 |
| Heavy Atoms | 13 |
| Complexity | 295.0 |
Chemical Identifiers
| CAS Number | 83532-70-1 |
|---|---|
| SMILES | CC1CC(=C(C(=O)C1)CCC#N)O |
| InChIKey | HJIJNFVMMKRJOQ-UHFFFAOYSA-N |
Product Overview
3-(2-Hydroxy-4-methyl-6-oxocyclohexen-1-yl)propanenitrile (CAS 83532-70-1), with molecular formula C10H13NO2 and molecular weight 179.09 g/mol. IUPAC: 3-(2-hydroxy-4-methyl-6-oxocyclohexen-1-yl)propanenitrile.
Chemical Property Profile of 3-(2-Hydroxy-4-methyl-6-oxocyclohexen-1-yl)propanenitrile
Property Insights of 3-(2-Hydroxy-4-methyl-6-oxocyclohexen-1-yl)propanenitrile
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(2-Hydroxy-4-methyl-6-oxocyclohexen-1-yl)propanenitrile. The TPSA of 61.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(2-Hydroxy-4-methyl-6-oxocyclohexen-1-yl)propanenitrile. Following Lipinski's Rule of Five, 3-(2-Hydroxy-4-methyl-6-oxocyclohexen-1-yl)propanenitrile has 1 hydrogen bond donor(s) and 3 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-(2-Hydroxy-4-methyl-6-oxocyclohexen-1-yl)propanenitrile?
The CAS number of 3-(2-Hydroxy-4-methyl-6-oxocyclohexen-1-yl)propanenitrile is 83532-70-1.
What is the molecular formula of 3-(2-Hydroxy-4-methyl-6-oxocyclohexen-1-yl)propanenitrile?
The molecular formula of 3-(2-Hydroxy-4-methyl-6-oxocyclohexen-1-yl)propanenitrile is C10H13NO2.
What is the molecular weight of 3-(2-Hydroxy-4-methyl-6-oxocyclohexen-1-yl)propanenitrile?
The molecular weight of 3-(2-Hydroxy-4-methyl-6-oxocyclohexen-1-yl)propanenitrile is 179.09 g/mol.
Where can I buy 3-(2-Hydroxy-4-methyl-6-oxocyclohexen-1-yl)propanenitrile?
You can request a quote for 3-(2-Hydroxy-4-methyl-6-oxocyclohexen-1-yl)propanenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(2-Hydroxy-4-methyl-6-oxocyclohexen-1-yl)propanenitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-(2-Hydroxy-4-methyl-6-oxocyclohexen-1-yl)propanenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.