Benzeneacetic acid, alpha-hydroxy-, 3-(hydroxymethyl)-3,5-dimethylcyclohexyl ester
TL;DR: Benzeneacetic acid, alpha-hydroxy-, 3-(hydroxymethyl)-3,5-dimethylcyclohexyl ester (CAS 84661-01-8) is a chemical compound with molecular formula C17H24O4 and molecular weight 292.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-(hydroxymethyl)-3,5-dimethylcyclohexyl] 2-hydroxy-2-phenylacetate
Also Known As: Benzeneacetic acid, alpha-hydroxy-, 3-(hydroxymethyl)-3,5-dimethylcyclohexyl ester, [3-(hydroxymethyl)-3,5-dimethylcyclohexyl] 2-hydroxy-2-phenylacetate, 2-(6'-Methylheptanol-1'-yl)-3-hydroxymethyl-4-butanolide, 6-oxo-2-phenyl-1,6-dihydro-pyrimidine-4-carboxylic acid, 3-(Hydroxymethyl)-3,5-dimethylcyclohexyl hydroxy(phenyl)acetate
| Molecular Formula | C17H24O4 |
|---|---|
| Molecular Weight | 292.17 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 66.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 292.16745 |
| Heavy Atoms | 21 |
| Complexity | 351.0 |
Chemical Identifiers
| CAS Number | 84661-01-8 |
|---|---|
| SMILES | CC1CC(CC(C1)(C)CO)OC(=O)C(C2=CC=CC=C2)O |
| InChIKey | RIRANCGZJVXYIK-UHFFFAOYSA-N |
Product Overview
Benzeneacetic acid, alpha-hydroxy-, 3-(hydroxymethyl)-3,5-dimethylcyclohexyl ester (CAS 84661-01-8), with molecular formula C17H24O4 and molecular weight 292.17 g/mol. IUPAC: [3-(hydroxymethyl)-3,5-dimethylcyclohexyl] 2-hydroxy-2-phenylacetate.
Chemical Property Profile of Benzeneacetic acid, alpha-hydroxy-, 3-(hydroxymethyl)-3,5-dimethylcyclohexyl ester
Property Insights of Benzeneacetic acid, alpha-hydroxy-, 3-(hydroxymethyl)-3,5-dimethylcyclohexyl ester
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzeneacetic acid, alpha-hydroxy-, 3-(hydroxymethyl)-3,5-dimethylcyclohexyl ester. The TPSA of 66.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzeneacetic acid, alpha-hydroxy-, 3-(hydroxymethyl)-3,5-dimethylcyclohexyl ester. Following Lipinski's Rule of Five, Benzeneacetic acid, alpha-hydroxy-, 3-(hydroxymethyl)-3,5-dimethylcyclohexyl ester has 2 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 Benzeneacetic acid, alpha-hydroxy-, 3-(hydroxymethyl)-3,5-dimethylcyclohexyl ester?
The CAS number of Benzeneacetic acid, alpha-hydroxy-, 3-(hydroxymethyl)-3,5-dimethylcyclohexyl ester is 84661-01-8.
What is the molecular formula of Benzeneacetic acid, alpha-hydroxy-, 3-(hydroxymethyl)-3,5-dimethylcyclohexyl ester?
The molecular formula of Benzeneacetic acid, alpha-hydroxy-, 3-(hydroxymethyl)-3,5-dimethylcyclohexyl ester is C17H24O4.
What is the molecular weight of Benzeneacetic acid, alpha-hydroxy-, 3-(hydroxymethyl)-3,5-dimethylcyclohexyl ester?
The molecular weight of Benzeneacetic acid, alpha-hydroxy-, 3-(hydroxymethyl)-3,5-dimethylcyclohexyl ester is 292.17 g/mol.
Where can I buy Benzeneacetic acid, alpha-hydroxy-, 3-(hydroxymethyl)-3,5-dimethylcyclohexyl ester?
You can request a quote for Benzeneacetic acid, alpha-hydroxy-, 3-(hydroxymethyl)-3,5-dimethylcyclohexyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzeneacetic acid, alpha-hydroxy-, 3-(hydroxymethyl)-3,5-dimethylcyclohexyl ester?
Yes, KEHONG BIO provides custom synthesis services for Benzeneacetic acid, alpha-hydroxy-, 3-(hydroxymethyl)-3,5-dimethylcyclohexyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.