2-Methylcyclohexane-1-carboxylate
TL;DR: 2-Methylcyclohexane-1-carboxylate (CAS 106044-97-7) is a chemical compound with molecular formula C8H13O2- and molecular weight 141.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methylcyclohexane-1-carboxylate
Also Known As: 2-methylcyclohexane-1-carboxylate, 2-METHYLCYCLOHEXYLFORMATE, Cyclohexanol,2-methyl-, 1-formate, (1R,2S)-rel-
| Molecular Formula | C8H13O2- |
|---|---|
| Molecular Weight | 141.09 g/mol |
| LogP | 0.5626 |
| Topological Polar Surface Area | 40.13 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 141.09155 |
| Heavy Atoms | 10 |
| Complexity | 131.21928 |
Chemical Identifiers
| CAS Number | 106044-97-7 |
|---|---|
| SMILES | CC1CCCCC1C(=O)[O-] |
Product Overview
2-Methylcyclohexane-1-carboxylate (CAS 106044-97-7), with molecular formula C8H13O2- and molecular weight 141.09 g/mol. IUPAC: 2-methylcyclohexane-1-carboxylate.
Chemical Property Profile of 2-Methylcyclohexane-1-carboxylate
Property Insights of 2-Methylcyclohexane-1-carboxylate
The XLogP value of 0.5626 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Methylcyclohexane-1-carboxylate. With a topological polar surface area (TPSA) of 40.13 Ų, 2-Methylcyclohexane-1-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Methylcyclohexane-1-carboxylate 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 2-Methylcyclohexane-1-carboxylate?
The CAS number of 2-Methylcyclohexane-1-carboxylate is 106044-97-7.
What is the molecular formula of 2-Methylcyclohexane-1-carboxylate?
The molecular formula of 2-Methylcyclohexane-1-carboxylate is C8H13O2-.
What is the molecular weight of 2-Methylcyclohexane-1-carboxylate?
The molecular weight of 2-Methylcyclohexane-1-carboxylate is 141.09 g/mol.
Where can I buy 2-Methylcyclohexane-1-carboxylate?
You can request a quote for 2-Methylcyclohexane-1-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Methylcyclohexane-1-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for 2-Methylcyclohexane-1-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.