4-(Acetyloxy)cyclohexanecarboxylic acid
TL;DR: 4-(Acetyloxy)cyclohexanecarboxylic acid (CAS 105207-66-7) is a chemical compound with molecular formula C9H14O4 and molecular weight 186.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-acetyloxycyclohexane-1-carboxylic acid
Also Known As: 4-(acetyloxy)cyclohexanecarboxylic acid, ChemDiv3_000269, 4-Acetoxy-cyclohexanecarboxylic acid, Trans-4-(acetyloxy)cyclohexane-1-carboxylic acid, 4-acetyloxycyclohexane-1-carboxylic acid
| Molecular Formula | C9H14O4 |
|---|---|
| Molecular Weight | 186.09 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 186.0892 |
| Heavy Atoms | 13 |
| Complexity | 204.0 |
Chemical Identifiers
| CAS Number | 105207-66-7 |
|---|---|
| SMILES | CC(=O)OC1CCC(CC1)C(=O)O |
| InChIKey | UNYSEEUVFCINOW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-(Acetyloxy)cyclohexanecarboxylic acid (CAS 105207-66-7), with molecular formula C9H14O4 and molecular weight 186.09 g/mol. IUPAC: 4-acetyloxycyclohexane-1-carboxylic acid.
Chemical Property Profile of 4-(Acetyloxy)cyclohexanecarboxylic acid
Property Insights of 4-(Acetyloxy)cyclohexanecarboxylic acid
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(Acetyloxy)cyclohexanecarboxylic acid. The TPSA of 63.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(Acetyloxy)cyclohexanecarboxylic acid. Following Lipinski's Rule of Five, 4-(Acetyloxy)cyclohexanecarboxylic acid has 1 hydrogen bond donor(s) and 4 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 4-(Acetyloxy)cyclohexanecarboxylic acid?
The CAS number of 4-(Acetyloxy)cyclohexanecarboxylic acid is 105207-66-7.
What is the molecular formula of 4-(Acetyloxy)cyclohexanecarboxylic acid?
The molecular formula of 4-(Acetyloxy)cyclohexanecarboxylic acid is C9H14O4.
What is the molecular weight of 4-(Acetyloxy)cyclohexanecarboxylic acid?
The molecular weight of 4-(Acetyloxy)cyclohexanecarboxylic acid is 186.09 g/mol.
Where can I buy 4-(Acetyloxy)cyclohexanecarboxylic acid?
You can request a quote for 4-(Acetyloxy)cyclohexanecarboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(Acetyloxy)cyclohexanecarboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-(Acetyloxy)cyclohexanecarboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.