p-Cymene-2-carboxylic acid, 3-(2-(dimethylamino)ethoxy)-, butyl ester
TL;DR: p-Cymene-2-carboxylic acid, 3-(2-(dimethylamino)ethoxy)-, butyl ester (CAS 53251-84-6) is a chemical compound with molecular formula C19H31NO3 and molecular weight 321.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
butyl 2-[2-(dimethylamino)ethoxy]-6-methyl-3-propan-2-ylbenzoate
Also Known As: Butyl 3-(2-(dimethylamino)ethoxy)-p-cymene-2-carboxylate, 3-[2- ethoxy]-p-cymene-2-carboxylicacidbutylester, p-CYMENE-2-CARBOXYLIC ACID, 3-(2-(DIMETHYLAMINO)ETHOXY)-, BUTYL ESTER, butyl 2-(2-dimethylaminoethyloxy)-6-methyl-3-propan-2-ylbenzoate, butyl 2-[2-(dimethylamino)ethoxy]-6-methyl-3-(propan-2-yl)benzoate
| Molecular Formula | C19H31NO3 |
|---|---|
| Molecular Weight | 321.23 g/mol |
| LogP | 4.5 |
| Topological Polar Surface Area | 38.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 10 |
| Exact Mass | 321.2304 |
| Heavy Atoms | 23 |
| Complexity | 344.0 |
Chemical Identifiers
| CAS Number | 53251-84-6 |
|---|---|
| SMILES | CCCCOC(=O)C1=C(C=CC(=C1OCCN(C)C)C(C)C)C |
| InChIKey | FXZFKDKFRLPXDC-UHFFFAOYSA-N |
Product Overview
p-Cymene-2-carboxylic acid, 3-(2-(dimethylamino)ethoxy)-, butyl ester (CAS 53251-84-6), with molecular formula C19H31NO3 and molecular weight 321.23 g/mol. IUPAC: butyl 2-[2-(dimethylamino)ethoxy]-6-methyl-3-propan-2-ylbenzoate.
Chemical Property Profile of p-Cymene-2-carboxylic acid, 3-(2-(dimethylamino)ethoxy)-, butyl ester
Property Insights of p-Cymene-2-carboxylic acid, 3-(2-(dimethylamino)ethoxy)-, butyl ester
The XLogP value of 4.5 indicates that p-Cymene-2-carboxylic acid, 3-(2-(dimethylamino)ethoxy)-, butyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.8 Ų, p-Cymene-2-carboxylic acid, 3-(2-(dimethylamino)ethoxy)-, butyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, p-Cymene-2-carboxylic acid, 3-(2-(dimethylamino)ethoxy)-, butyl ester has 0 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 p-Cymene-2-carboxylic acid, 3-(2-(dimethylamino)ethoxy)-, butyl ester?
The CAS number of p-Cymene-2-carboxylic acid, 3-(2-(dimethylamino)ethoxy)-, butyl ester is 53251-84-6.
What is the molecular formula of p-Cymene-2-carboxylic acid, 3-(2-(dimethylamino)ethoxy)-, butyl ester?
The molecular formula of p-Cymene-2-carboxylic acid, 3-(2-(dimethylamino)ethoxy)-, butyl ester is C19H31NO3.
What is the molecular weight of p-Cymene-2-carboxylic acid, 3-(2-(dimethylamino)ethoxy)-, butyl ester?
The molecular weight of p-Cymene-2-carboxylic acid, 3-(2-(dimethylamino)ethoxy)-, butyl ester is 321.23 g/mol.
Where can I buy p-Cymene-2-carboxylic acid, 3-(2-(dimethylamino)ethoxy)-, butyl ester?
You can request a quote for p-Cymene-2-carboxylic acid, 3-(2-(dimethylamino)ethoxy)-, butyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for p-Cymene-2-carboxylic acid, 3-(2-(dimethylamino)ethoxy)-, butyl ester?
Yes, KEHONG BIO provides custom synthesis services for p-Cymene-2-carboxylic acid, 3-(2-(dimethylamino)ethoxy)-, butyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.