trans-1-(2-Methylcyclohexyl)ethan-1-one
TL;DR: trans-1-(2-Methylcyclohexyl)ethan-1-one (CAS 5222-61-7) is a chemical compound with molecular formula C9H16O and molecular weight 140.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(1R,2R)-2-methylcyclohexyl]ethanone
Also Known As: trans-1-(2-Methylcyclohexyl)ethan-1-one, 1-[(1r,2r)-2-methylcyclohexyl]ethanone, KST-1B4941, 1-[(1R,2R)-2-methylcyclohexyl]ethan-1-one, (1R)-1beta-Acetyl-2alpha-methylcyclohexane
| Molecular Formula | C9H16O |
|---|---|
| Molecular Weight | 140.12 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 140.12012 |
| Heavy Atoms | 10 |
| Complexity | 129.0 |
Chemical Identifiers
| CAS Number | 5222-61-7 |
|---|---|
| SMILES | C[C@@H]1CCCC[C@H]1C(=O)C |
| InChIKey | VZELQXKHIHNPLU-VXNVDRBHSA-N |
Product Overview
trans-1-(2-Methylcyclohexyl)ethan-1-one (CAS 5222-61-7), with molecular formula C9H16O and molecular weight 140.12 g/mol. IUPAC: 1-[(1R,2R)-2-methylcyclohexyl]ethanone.
Chemical Property Profile of trans-1-(2-Methylcyclohexyl)ethan-1-one
Property Insights of trans-1-(2-Methylcyclohexyl)ethan-1-one
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for trans-1-(2-Methylcyclohexyl)ethan-1-one. With a topological polar surface area (TPSA) of 17.1 Ų, trans-1-(2-Methylcyclohexyl)ethan-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, trans-1-(2-Methylcyclohexyl)ethan-1-one has 0 hydrogen bond donor(s) and 1 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 trans-1-(2-Methylcyclohexyl)ethan-1-one?
The CAS number of trans-1-(2-Methylcyclohexyl)ethan-1-one is 5222-61-7.
What is the molecular formula of trans-1-(2-Methylcyclohexyl)ethan-1-one?
The molecular formula of trans-1-(2-Methylcyclohexyl)ethan-1-one is C9H16O.
What is the molecular weight of trans-1-(2-Methylcyclohexyl)ethan-1-one?
The molecular weight of trans-1-(2-Methylcyclohexyl)ethan-1-one is 140.12 g/mol.
Where can I buy trans-1-(2-Methylcyclohexyl)ethan-1-one?
You can request a quote for trans-1-(2-Methylcyclohexyl)ethan-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for trans-1-(2-Methylcyclohexyl)ethan-1-one?
Yes, KEHONG BIO provides custom synthesis services for trans-1-(2-Methylcyclohexyl)ethan-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.