p-Cymene-2-carboxylic acid, 3-(3-(dimethylamino)propoxy)-, methyl ester
TL;DR: p-Cymene-2-carboxylic acid, 3-(3-(dimethylamino)propoxy)-, methyl ester (CAS 52073-31-1) is a chemical compound with molecular formula C17H27NO3 and molecular weight 293.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[3-(dimethylamino)propoxy]-6-methyl-3-propan-2-ylbenzoate
Also Known As: Methyl 3-(3-(dimethylamino)propoxy)-p-cymene-2-carboxylate, p-CYMENE-2-CARBOXYLIC ACID, 3-(3-(DIMETHYLAMINO)PROPOXY)-, METHYL ESTER, 3-[3- propoxy]-p-cymene-2-carboxylicacidmethylester, methyl 2-[3-(dimethylamino)propoxy]-6-methyl-3-propan-2-ylbenzoate, methyl 2-[3-(dimethylamino)propoxy]-6-methyl-3-(propan-2-yl)benzoate
| Molecular Formula | C17H27NO3 |
|---|---|
| Molecular Weight | 293.20 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 38.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 293.1991 |
| Heavy Atoms | 21 |
| Complexity | 317.0 |
Chemical Identifiers
| CAS Number | 52073-31-1 |
|---|---|
| SMILES | CC1=C(C(=C(C=C1)C(C)C)OCCCN(C)C)C(=O)OC |
| InChIKey | FGVITAFIUFLYQJ-UHFFFAOYSA-N |
Product Overview
p-Cymene-2-carboxylic acid, 3-(3-(dimethylamino)propoxy)-, methyl ester (CAS 52073-31-1), with molecular formula C17H27NO3 and molecular weight 293.20 g/mol. IUPAC: methyl 2-[3-(dimethylamino)propoxy]-6-methyl-3-propan-2-ylbenzoate.
Chemical Property Profile of p-Cymene-2-carboxylic acid, 3-(3-(dimethylamino)propoxy)-, methyl ester
Property Insights of p-Cymene-2-carboxylic acid, 3-(3-(dimethylamino)propoxy)-, methyl ester
The XLogP value of 3.6 indicates that p-Cymene-2-carboxylic acid, 3-(3-(dimethylamino)propoxy)-, methyl 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-(3-(dimethylamino)propoxy)-, methyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, p-Cymene-2-carboxylic acid, 3-(3-(dimethylamino)propoxy)-, methyl 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-(3-(dimethylamino)propoxy)-, methyl ester?
The CAS number of p-Cymene-2-carboxylic acid, 3-(3-(dimethylamino)propoxy)-, methyl ester is 52073-31-1.
What is the molecular formula of p-Cymene-2-carboxylic acid, 3-(3-(dimethylamino)propoxy)-, methyl ester?
The molecular formula of p-Cymene-2-carboxylic acid, 3-(3-(dimethylamino)propoxy)-, methyl ester is C17H27NO3.
What is the molecular weight of p-Cymene-2-carboxylic acid, 3-(3-(dimethylamino)propoxy)-, methyl ester?
The molecular weight of p-Cymene-2-carboxylic acid, 3-(3-(dimethylamino)propoxy)-, methyl ester is 293.20 g/mol.
Where can I buy p-Cymene-2-carboxylic acid, 3-(3-(dimethylamino)propoxy)-, methyl ester?
You can request a quote for p-Cymene-2-carboxylic acid, 3-(3-(dimethylamino)propoxy)-, methyl 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-(3-(dimethylamino)propoxy)-, methyl ester?
Yes, KEHONG BIO provides custom synthesis services for p-Cymene-2-carboxylic acid, 3-(3-(dimethylamino)propoxy)-, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.