p-Cymene-2-carboxylic acid, 3-(2-hydroxy-3-(methylamino)propoxy)-, ethyl ester
TL;DR: p-Cymene-2-carboxylic acid, 3-(2-hydroxy-3-(methylamino)propoxy)-, ethyl ester (CAS 53251-85-7) is a chemical compound with molecular formula C17H27NO4 and molecular weight 309.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[2-hydroxy-3-(methylamino)propoxy]-6-methyl-3-propan-2-ylbenzoate
Also Known As: Ethyl 3-(2-hydroxy-3-(methylamino)propoxy)-p-cymene-2-carboxylate, p-CYMENE-2-CARBOXYLIC ACID, 3-(2-HYDROXY-3-(METHYLAMINO)PROPOXY)-, ETHYL ESTER, Ethyl 2-[2-hydroxy-3-(methylamino)propoxy]-6-methyl-3-(propan-2-yl)benzoate, ethyl 2-[2-hydroxy-3-(methylamino)propoxy]-6-methyl-3-propan-2-ylbenzoate, butyl 2-(2-dimethylaminoethyloxy)-6-methyl-3-propan-2-ylbenzoate
| Molecular Formula | C17H27NO4 |
|---|---|
| Molecular Weight | 309.19 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 67.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 309.194 |
| Heavy Atoms | 22 |
| Complexity | 335.0 |
Chemical Identifiers
| CAS Number | 53251-85-7 |
|---|---|
| SMILES | CCOC(=O)C1=C(C=CC(=C1OCC(CNC)O)C(C)C)C |
| InChIKey | IZNBPULXWXVBDC-UHFFFAOYSA-N |
Product Overview
p-Cymene-2-carboxylic acid, 3-(2-hydroxy-3-(methylamino)propoxy)-, ethyl ester (CAS 53251-85-7), with molecular formula C17H27NO4 and molecular weight 309.19 g/mol. IUPAC: ethyl 2-[2-hydroxy-3-(methylamino)propoxy]-6-methyl-3-propan-2-ylbenzoate.
Chemical Property Profile of p-Cymene-2-carboxylic acid, 3-(2-hydroxy-3-(methylamino)propoxy)-, ethyl ester
Property Insights of p-Cymene-2-carboxylic acid, 3-(2-hydroxy-3-(methylamino)propoxy)-, ethyl ester
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for p-Cymene-2-carboxylic acid, 3-(2-hydroxy-3-(methylamino)propoxy)-, ethyl ester. The TPSA of 67.8 Ų falls within the moderate polarity range, balancing permeability and solubility for p-Cymene-2-carboxylic acid, 3-(2-hydroxy-3-(methylamino)propoxy)-, ethyl ester. Following Lipinski's Rule of Five, p-Cymene-2-carboxylic acid, 3-(2-hydroxy-3-(methylamino)propoxy)-, ethyl ester has 2 hydrogen bond donor(s) and 5 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-hydroxy-3-(methylamino)propoxy)-, ethyl ester?
The CAS number of p-Cymene-2-carboxylic acid, 3-(2-hydroxy-3-(methylamino)propoxy)-, ethyl ester is 53251-85-7.
What is the molecular formula of p-Cymene-2-carboxylic acid, 3-(2-hydroxy-3-(methylamino)propoxy)-, ethyl ester?
The molecular formula of p-Cymene-2-carboxylic acid, 3-(2-hydroxy-3-(methylamino)propoxy)-, ethyl ester is C17H27NO4.
What is the molecular weight of p-Cymene-2-carboxylic acid, 3-(2-hydroxy-3-(methylamino)propoxy)-, ethyl ester?
The molecular weight of p-Cymene-2-carboxylic acid, 3-(2-hydroxy-3-(methylamino)propoxy)-, ethyl ester is 309.19 g/mol.
Where can I buy p-Cymene-2-carboxylic acid, 3-(2-hydroxy-3-(methylamino)propoxy)-, ethyl ester?
You can request a quote for p-Cymene-2-carboxylic acid, 3-(2-hydroxy-3-(methylamino)propoxy)-, ethyl 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-hydroxy-3-(methylamino)propoxy)-, ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for p-Cymene-2-carboxylic acid, 3-(2-hydroxy-3-(methylamino)propoxy)-, ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.