Aceticacid3- propylester
TL;DR: Aceticacid3- propylester (CAS 53206-93-2) is a chemical compound with molecular formula C21H33NO5 and molecular weight 379.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propan-2-yl 2-[2-[3-(dimethylamino)propoxy]-2-oxoethoxy]-6-methyl-3-propan-2-ylbenzoate
Also Known As: Aceticacid3- propylester, Acetic acid, (2-isopropoxycarbonyl-6-isopropyl-3-methylphenoxy)-, 3-(dimethylamino)propyl ester, p-Cymene-2-carboxylic acid, 3-(3-(dimethylamino)propoxycarbonylmethoxy)-, isoporpyl ester, propan-2-yl 2-[2-[3-(dimethylamino)propoxy]-2-oxoethoxy]-6-methyl-3-propan-2-ylbenzoate, propan-2-yl 2-{2-[3-(dimethylamino)propoxy]-2-oxoethoxy}-6-methyl-3-(propan-2-yl)benzoate
| Molecular Formula | C21H33NO5 |
|---|---|
| Molecular Weight | 379.24 g/mol |
| LogP | 4.4 |
| Topological Polar Surface Area | 65.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 12 |
| Exact Mass | 379.23587 |
| Heavy Atoms | 27 |
| Complexity | 463.0 |
Chemical Identifiers
| CAS Number | 53206-93-2 |
|---|---|
| SMILES | CC1=C(C(=C(C=C1)C(C)C)OCC(=O)OCCCN(C)C)C(=O)OC(C)C |
| InChIKey | JTNZXOJENVIQTO-UHFFFAOYSA-N |
Product Overview
Aceticacid3- propylester (CAS 53206-93-2), with molecular formula C21H33NO5 and molecular weight 379.24 g/mol. IUPAC: propan-2-yl 2-[2-[3-(dimethylamino)propoxy]-2-oxoethoxy]-6-methyl-3-propan-2-ylbenzoate.
Chemical Property Profile of Aceticacid3- propylester
Property Insights of Aceticacid3- propylester
The XLogP value of 4.4 indicates that Aceticacid3- propylester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 65.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Aceticacid3- propylester. Following Lipinski's Rule of Five, Aceticacid3- propylester has 0 hydrogen bond donor(s) and 6 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 Aceticacid3- propylester?
The CAS number of Aceticacid3- propylester is 53206-93-2.
What is the molecular formula of Aceticacid3- propylester?
The molecular formula of Aceticacid3- propylester is C21H33NO5.
What is the molecular weight of Aceticacid3- propylester?
The molecular weight of Aceticacid3- propylester is 379.24 g/mol.
Where can I buy Aceticacid3- propylester?
You can request a quote for Aceticacid3- propylester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Aceticacid3- propylester?
Yes, KEHONG BIO provides custom synthesis services for Aceticacid3- propylester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.