Camphoric acid, 1-(p,alpha-dimethylbenzyl) ester
TL;DR: Camphoric acid, 1-(p,alpha-dimethylbenzyl) ester (CAS 5436-90-8) is a chemical compound with molecular formula C19H26O4 and molecular weight 318.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2,3-trimethyl-3-[2-(4-methylphenyl)ethoxycarbonyl]cyclopentane-1-carboxylic acid
Also Known As: EINECS 207-362-0, 1-(p,alpha-Dimethylbenzyl) camphorate, 1-(1-(p-Tolyl)ethyl) hydrogen camphorate, Camphoric acid, 1-(p,alpha-dimethylbenzyl) ester, Camphoric acid, p,.alpha.-dimethylbenzyl ester
| Molecular Formula | C19H26O4 |
|---|---|
| Molecular Weight | 318.18 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 318.1831 |
| Heavy Atoms | 23 |
| Complexity | 448.0 |
Chemical Identifiers
| CAS Number | 5436-90-8 |
|---|---|
| SMILES | CC1=CC=C(C=C1)CCOC(=O)C2(CCC(C2(C)C)C(=O)O)C |
| InChIKey | RGCMZDAAEOIYLZ-UHFFFAOYSA-N |
Product Overview
Camphoric acid, 1-(p,alpha-dimethylbenzyl) ester (CAS 5436-90-8), with molecular formula C19H26O4 and molecular weight 318.18 g/mol. IUPAC: 2,2,3-trimethyl-3-[2-(4-methylphenyl)ethoxycarbonyl]cyclopentane-1-carboxylic acid.
Chemical Property Profile of Camphoric acid, 1-(p,alpha-dimethylbenzyl) ester
Property Insights of Camphoric acid, 1-(p,alpha-dimethylbenzyl) ester
The XLogP value of 4.0 indicates that Camphoric acid, 1-(p,alpha-dimethylbenzyl) ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Camphoric acid, 1-(p,alpha-dimethylbenzyl) ester. Following Lipinski's Rule of Five, Camphoric acid, 1-(p,alpha-dimethylbenzyl) ester 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 Camphoric acid, 1-(p,alpha-dimethylbenzyl) ester?
The CAS number of Camphoric acid, 1-(p,alpha-dimethylbenzyl) ester is 5436-90-8.
What is the molecular formula of Camphoric acid, 1-(p,alpha-dimethylbenzyl) ester?
The molecular formula of Camphoric acid, 1-(p,alpha-dimethylbenzyl) ester is C19H26O4.
What is the molecular weight of Camphoric acid, 1-(p,alpha-dimethylbenzyl) ester?
The molecular weight of Camphoric acid, 1-(p,alpha-dimethylbenzyl) ester is 318.18 g/mol.
Where can I buy Camphoric acid, 1-(p,alpha-dimethylbenzyl) ester?
You can request a quote for Camphoric acid, 1-(p,alpha-dimethylbenzyl) ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Camphoric acid, 1-(p,alpha-dimethylbenzyl) ester?
Yes, KEHONG BIO provides custom synthesis services for Camphoric acid, 1-(p,alpha-dimethylbenzyl) ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.