Aceticacid3- propylester
TL;DR: Aceticacid3- propylester (CAS 53206-87-4) is a chemical compound with molecular formula C19H29NO5 and molecular weight 351.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[2-[3-(dimethylamino)propoxy]-2-oxoethoxy]-6-methyl-3-propan-2-ylbenzoate
Also Known As: Aceticacid3- propylester, Acetic acid, (6-isopropyl-2-methoxycarbonyl-3-methylphenoxy)-, 3-(dimethylamino)propyl ester, p-Cymene-2-carboxylic acid, 3-(3-(dimethylamino)propoxycarbonylmethoxy)-, methyl ester, (6-Isopropyl-2-methoxycarbonyl-3-methylphenoxy)acetic acid 3-(dimethylamino)propyl ester, methyl 2-[2-[3-(dimethylamino)propoxy]-2-oxoethoxy]-6-methyl-3-propan-2-ylbenzoate
| Molecular Formula | C19H29NO5 |
|---|---|
| Molecular Weight | 351.20 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 65.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 11 |
| Exact Mass | 351.20456 |
| Heavy Atoms | 25 |
| Complexity | 424.0 |
Chemical Identifiers
| CAS Number | 53206-87-4 |
|---|---|
| SMILES | CC1=C(C(=C(C=C1)C(C)C)OCC(=O)OCCCN(C)C)C(=O)OC |
| InChIKey | QGHFKHLAYNXMED-UHFFFAOYSA-N |
Product Overview
Aceticacid3- propylester (CAS 53206-87-4), with molecular formula C19H29NO5 and molecular weight 351.20 g/mol. IUPAC: methyl 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 3.6 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 53206-87-4.
What is the molecular formula of Aceticacid3- propylester?
The molecular formula of Aceticacid3- propylester is C19H29NO5.
What is the molecular weight of Aceticacid3- propylester?
The molecular weight of Aceticacid3- propylester is 351.20 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.