Cyclohexaneacetic acid, 1-hydroxy-, butyl ester
TL;DR: Cyclohexaneacetic acid, 1-hydroxy-, butyl ester (CAS 6946-48-1) is a chemical compound with molecular formula C12H22O3 and molecular weight 214.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
butyl 2-(1-hydroxycyclohexyl)acetate
Also Known As: butyl(1-hydroxycyclohexyl)acetate, butyl 2-(1-hydroxycyclohexyl)acetate, Butyl (1-hydroxycyclohexyl)acetate, Cyclohexaneacetic acid, 1-hydroxy-, butyl ester, J2.948.680H
| Molecular Formula | C12H22O3 |
|---|---|
| Molecular Weight | 214.16 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 214.15689 |
| Heavy Atoms | 15 |
| Complexity | 195.0 |
Chemical Identifiers
| CAS Number | 6946-48-1 |
|---|---|
| SMILES | CCCCOC(=O)CC1(CCCCC1)O |
| InChIKey | RZHRDWRQAUGJTB-UHFFFAOYSA-N |
Product Overview
Cyclohexaneacetic acid, 1-hydroxy-, butyl ester (CAS 6946-48-1), with molecular formula C12H22O3 and molecular weight 214.16 g/mol. IUPAC: butyl 2-(1-hydroxycyclohexyl)acetate.
Chemical Property Profile of Cyclohexaneacetic acid, 1-hydroxy-, butyl ester
Property Insights of Cyclohexaneacetic acid, 1-hydroxy-, butyl ester
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Cyclohexaneacetic acid, 1-hydroxy-, butyl ester. With a topological polar surface area (TPSA) of 46.5 Ų, Cyclohexaneacetic acid, 1-hydroxy-, butyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Cyclohexaneacetic acid, 1-hydroxy-, butyl ester has 1 hydrogen bond donor(s) and 3 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 Cyclohexaneacetic acid, 1-hydroxy-, butyl ester?
The CAS number of Cyclohexaneacetic acid, 1-hydroxy-, butyl ester is 6946-48-1.
What is the molecular formula of Cyclohexaneacetic acid, 1-hydroxy-, butyl ester?
The molecular formula of Cyclohexaneacetic acid, 1-hydroxy-, butyl ester is C12H22O3.
What is the molecular weight of Cyclohexaneacetic acid, 1-hydroxy-, butyl ester?
The molecular weight of Cyclohexaneacetic acid, 1-hydroxy-, butyl ester is 214.16 g/mol.
Where can I buy Cyclohexaneacetic acid, 1-hydroxy-, butyl ester?
You can request a quote for Cyclohexaneacetic acid, 1-hydroxy-, butyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cyclohexaneacetic acid, 1-hydroxy-, butyl ester?
Yes, KEHONG BIO provides custom synthesis services for Cyclohexaneacetic acid, 1-hydroxy-, butyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.