1,3-Dimethyl-5-oxocyclohexane-1-carbonitrile
TL;DR: 1,3-Dimethyl-5-oxocyclohexane-1-carbonitrile (CAS 106927-15-5) 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.
1,3-dimethyl-5-oxocyclohexane-1-carbonitrile
Also Known As: KST-1A9774, 1,3-dimethyl-5-oxocyclohexanecarbonitrile, 1,3-dimethyl-5-oxocyclohexane-1-carbonitrile, Cyclohexanecarbonitrile, 1,3-dimethyl-5-oxo-
| Molecular Formula | C9H13NO |
|---|---|
| Molecular Weight | 151.10 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 40.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 151.09972 |
| Heavy Atoms | 11 |
| Complexity | 225.0 |
Chemical Identifiers
| CAS Number | 106927-15-5 |
|---|---|
| SMILES | CC1CC(=O)CC(C1)(C)C#N |
| InChIKey | OQNCPTDMDHJIPH-UHFFFAOYSA-N |
Product Overview
1,3-Dimethyl-5-oxocyclohexane-1-carbonitrile (CAS 106927-15-5), with molecular formula C9H13NO and molecular weight 151.10 g/mol. IUPAC: 1,3-dimethyl-5-oxocyclohexane-1-carbonitrile.
Chemical Property Profile of 1,3-Dimethyl-5-oxocyclohexane-1-carbonitrile
Property Insights of 1,3-Dimethyl-5-oxocyclohexane-1-carbonitrile
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Dimethyl-5-oxocyclohexane-1-carbonitrile. With a topological polar surface area (TPSA) of 40.9 Ų, 1,3-Dimethyl-5-oxocyclohexane-1-carbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-Dimethyl-5-oxocyclohexane-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 1,3-Dimethyl-5-oxocyclohexane-1-carbonitrile?
The CAS number of 1,3-Dimethyl-5-oxocyclohexane-1-carbonitrile is 106927-15-5.
What is the molecular formula of 1,3-Dimethyl-5-oxocyclohexane-1-carbonitrile?
The molecular formula of 1,3-Dimethyl-5-oxocyclohexane-1-carbonitrile is C9H13NO.
What is the molecular weight of 1,3-Dimethyl-5-oxocyclohexane-1-carbonitrile?
The molecular weight of 1,3-Dimethyl-5-oxocyclohexane-1-carbonitrile is 151.10 g/mol.
Where can I buy 1,3-Dimethyl-5-oxocyclohexane-1-carbonitrile?
You can request a quote for 1,3-Dimethyl-5-oxocyclohexane-1-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Dimethyl-5-oxocyclohexane-1-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Dimethyl-5-oxocyclohexane-1-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.