RefChem:316162
TL;DR: RefChem:316162 (CAS 53251-82-4) 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.
ethyl 2-[2-[3-(dimethylamino)propoxy]-2-oxoethoxy]-6-methyl-3-propan-2-ylbenzoate
Also Known As: Acetic acid, (2-ethoxycarbonyl-6-isopropyl-3-methyl)phenoxy-, 3-(dimethylamino)propyl ester, p-Cymene-2-carboxylic acid, 3-(3-(dimethylamino)propoxycarbonylmethoxy)-, ethyl ester, 3-Isopropyl-6-methyl-2-(3-dimethylaminopropyloxycarbonylmethoxy)benzoic acid ethyl ester, ethyl 2-[2-[3-(dimethylamino)propoxy]-2-oxoethoxy]-6-methyl-3-propan-2-ylbenzoate, ethyl 2-{2-[3-(dimethylamino)propoxy]-2-oxoethoxy}-6-methyl-3-(propan-2-yl)benzoate
| Molecular Formula | C20H31NO5 |
|---|---|
| Molecular Weight | 365.22 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 65.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 12 |
| Exact Mass | 365.2202 |
| Heavy Atoms | 26 |
| Complexity | 438.0 |
Chemical Identifiers
| CAS Number | 53251-82-4 |
|---|---|
| SMILES | CCOC(=O)C1=C(C=CC(=C1OCC(=O)OCCCN(C)C)C(C)C)C |
| InChIKey | RKBPFDSABQZWQQ-UHFFFAOYSA-N |
Product Overview
RefChem:316162 (CAS 53251-82-4), with molecular formula C20H31NO5 and molecular weight 365.22 g/mol. IUPAC: ethyl 2-[2-[3-(dimethylamino)propoxy]-2-oxoethoxy]-6-methyl-3-propan-2-ylbenzoate.
Chemical Property Profile of RefChem:316162
Property Insights of RefChem:316162
The XLogP value of 3.9 indicates that RefChem:316162 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:316162. Following Lipinski's Rule of Five, RefChem:316162 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:316162?
The CAS number of RefChem:316162 is 53251-82-4.
What is the molecular formula of RefChem:316162?
The molecular formula of RefChem:316162 is C20H31NO5.
What is the molecular weight of RefChem:316162?
The molecular weight of RefChem:316162 is 365.22 g/mol.
Where can I buy RefChem:316162?
You can request a quote for RefChem:316162 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:316162?
Yes, KEHONG BIO provides custom synthesis services for RefChem:316162 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.