Trans-4-acetylcyclohexanecarboxylic acid
TL;DR: Trans-4-acetylcyclohexanecarboxylic acid (CAS 131246-74-7) is a chemical compound with molecular formula C9H14O3 and molecular weight 170.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-acetylcyclohexane-1-carboxylic acid
Also Known As: trans-4-acetylcyclohexanecarboxylic acid, 4-acetylcyclohexane-1-carboxylic Acid, Cyclohexanecarboxylicacid, 4-acetyl-, 4-acetylcyclohexanecarboxylicacid, 4-acetylcyclohexanecarboxylic acid
| Molecular Formula | C9H14O3 |
|---|---|
| Molecular Weight | 170.09 g/mol |
| LogP | 1.4664 |
| Topological Polar Surface Area | 54.37 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 170.0943 |
| Heavy Atoms | 12 |
| Complexity | 167.95033 |
Chemical Identifiers
| CAS Number | 131246-74-7 |
|---|---|
| SMILES | CC(=O)C1CCC(CC1)C(=O)O |
Product Overview
Trans-4-acetylcyclohexanecarboxylic acid (CAS 131246-74-7), with molecular formula C9H14O3 and molecular weight 170.09 g/mol. IUPAC: 4-acetylcyclohexane-1-carboxylic acid.
Chemical Property Profile of Trans-4-acetylcyclohexanecarboxylic acid
Property Insights of Trans-4-acetylcyclohexanecarboxylic acid
The XLogP value of 1.4664 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Trans-4-acetylcyclohexanecarboxylic acid. With a topological polar surface area (TPSA) of 54.37 Ų, Trans-4-acetylcyclohexanecarboxylic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Trans-4-acetylcyclohexanecarboxylic acid has 1 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 Trans-4-acetylcyclohexanecarboxylic acid?
The CAS number of Trans-4-acetylcyclohexanecarboxylic acid is 131246-74-7.
What is the molecular formula of Trans-4-acetylcyclohexanecarboxylic acid?
The molecular formula of Trans-4-acetylcyclohexanecarboxylic acid is C9H14O3.
What is the molecular weight of Trans-4-acetylcyclohexanecarboxylic acid?
The molecular weight of Trans-4-acetylcyclohexanecarboxylic acid is 170.09 g/mol.
Where can I buy Trans-4-acetylcyclohexanecarboxylic acid?
You can request a quote for Trans-4-acetylcyclohexanecarboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Trans-4-acetylcyclohexanecarboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for Trans-4-acetylcyclohexanecarboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.