RefChem:316161
TL;DR: RefChem:316161 (CAS 53206-77-2) is a chemical compound with molecular formula C22H33NO5 and molecular weight 391.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 6-methyl-2-[2-oxo-2-(2-piperidin-1-ylethoxy)ethoxy]-3-propan-2-ylbenzoate
Also Known As: Acetic acid, (2-ethoxycarbonyl-6-isopropyl-3-methyl)phenoxy-, 2-piperidinoethyl ester, p-Cymene-2-carboxylic acid, 3-(2-(piperidino)ethoxycarbonylmethoxy)-, ethyl ester, (2-Ethoxycarbonyl-6-isopropyl-3-methylphenoxy)acetic acid 2-piperidinoethyl ester, ethyl 6-methyl-2-[2-oxo-2-(2-piperidin-1-ylethoxy)ethoxy]-3-propan-2-ylbenzoate, ethyl 6-methyl-2-{2-oxo-2-[2-(piperidin-1-yl)ethoxy]ethoxy}-3-(propan-2-yl)benzoate
| Molecular Formula | C22H33NO5 |
|---|---|
| Molecular Weight | 391.24 g/mol |
| LogP | 4.4 |
| Topological Polar Surface Area | 65.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 11 |
| Exact Mass | 391.23587 |
| Heavy Atoms | 28 |
| Complexity | 489.0 |
Chemical Identifiers
| CAS Number | 53206-77-2 |
|---|---|
| SMILES | CCOC(=O)C1=C(C=CC(=C1OCC(=O)OCCN2CCCCC2)C(C)C)C |
| InChIKey | AABQVBFXZKSBOW-UHFFFAOYSA-N |
Product Overview
RefChem:316161 (CAS 53206-77-2), with molecular formula C22H33NO5 and molecular weight 391.24 g/mol. IUPAC: ethyl 6-methyl-2-[2-oxo-2-(2-piperidin-1-ylethoxy)ethoxy]-3-propan-2-ylbenzoate.
Chemical Property Profile of RefChem:316161
Property Insights of RefChem:316161
The XLogP value of 4.4 indicates that RefChem:316161 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 RefChem:316161. Following Lipinski's Rule of Five, RefChem:316161 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 RefChem:316161?
The CAS number of RefChem:316161 is 53206-77-2.
What is the molecular formula of RefChem:316161?
The molecular formula of RefChem:316161 is C22H33NO5.
What is the molecular weight of RefChem:316161?
The molecular weight of RefChem:316161 is 391.24 g/mol.
Where can I buy RefChem:316161?
You can request a quote for RefChem:316161 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:316161?
Yes, KEHONG BIO provides custom synthesis services for RefChem:316161 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.