乙酸2-乙酯
TL;DR: 乙酸2-乙酯 (CAS 53206-76-1) is a chemical compound with molecular formula C20H31NO5 and molecular weight 365.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
乙酸2-乙酯
propan-2-yl 2-[2-[2-(dimethylamino)ethoxy]-2-oxoethoxy]-6-methyl-3-propan-2-ylbenzoate
Also Known As: aceticacid2- ethylester, Acetic acid, (2-isopropoxycarbonyl-6-isopropyl-3-methylphenoxy)-, 2-(dimethylamino)ethyl ester, p-Cymene-2-carboxylic acid, 3-(2-(dimethylamino)ethoxycarbonylmethoxy)-, isopropyl ester, (2-Isopropoxycarbonyl-6-isopropyl-3-methylphenoxy)acetic acid 2-(dimethylamino)ethyl ester, propan-2-yl 2-{2-[2-(dimethylamino)ethoxy]-2-oxoethoxy}-6-methyl-3-(propan-2-yl)benzoate
| Molecular Formula | C20H31NO5 |
|---|---|
| Molecular Weight | 365.22 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 65.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 11 |
| Exact Mass | 365.2202 |
| Heavy Atoms | 26 |
| Complexity | 449.0 |
Chemical Identifiers
| CAS Number | 53206-76-1 |
|---|---|
| SMILES | CC1=C(C(=C(C=C1)C(C)C)OCC(=O)OCCN(C)C)C(=O)OC(C)C |
| InChIKey | IDEGKAZYUMJHRM-UHFFFAOYSA-N |
Product Overview
乙酸2-乙酯 (CAS 53206-76-1), with molecular formula C20H31NO5 and molecular weight 365.22 g/mol. IUPAC: propan-2-yl 2-[2-[2-(dimethylamino)ethoxy]-2-oxoethoxy]-6-methyl-3-propan-2-ylbenzoate.
Chemical Property Profile of 乙酸2-乙酯
Property Insights of 乙酸2-乙酯
The XLogP value of 4.0 indicates that 乙酸2-乙酯 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 乙酸2-乙酯. Following Lipinski's Rule of Five, 乙酸2-乙酯 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 乙酸2-乙酯?
The CAS number of 乙酸2-乙酯 is 53206-76-1.
What is the molecular formula of 乙酸2-乙酯?
The molecular formula of 乙酸2-乙酯 is C20H31NO5.
What is the molecular weight of 乙酸2-乙酯?
The molecular weight of 乙酸2-乙酯 is 365.22 g/mol.
Where can I buy 乙酸2-乙酯?
You can request a quote for 乙酸2-乙酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 乙酸2-乙酯?
Yes, KEHONG BIO provides custom synthesis services for 乙酸2-乙酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.