RefChem:367651
TL;DR: RefChem:367651 (CAS 53251-86-8) is a chemical compound with molecular formula C19H31NO4 and molecular weight 337.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[2-hydroxy-3-(propan-2-ylamino)propoxy]-6-methyl-3-propan-2-ylbenzoate
Also Known As: Ethyl 3-(2-hydroxy-3-(isopropylamino)propoxy)-p-cymene-2-carboxylate, p-Cymene-2-carboxylic acid, 3-(2-hydroxy-3-(isopropylamino)propoxy)-, ethyl ester, 3-[2-Hydroxy-3- propoxy]-p-cymene-2-carboxylicacidethylester, butyl 2-(2-dimethylaminoethyloxy)-6-methyl-3-propan-2-ylbenzoate, ethyl 2-[2-hydroxy-3-(propan-2-ylamino)propoxy]-6-methyl-3-propan-2-ylbenzoate
| Molecular Formula | C19H31NO4 |
|---|---|
| Molecular Weight | 337.23 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 67.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 10 |
| Exact Mass | 337.2253 |
| Heavy Atoms | 24 |
| Complexity | 372.0 |
Chemical Identifiers
| CAS Number | 53251-86-8 |
|---|---|
| SMILES | CCOC(=O)C1=C(C=CC(=C1OCC(CNC(C)C)O)C(C)C)C |
| InChIKey | XZLBXQZCBMFFQT-UHFFFAOYSA-N |
Product Overview
RefChem:367651 (CAS 53251-86-8), with molecular formula C19H31NO4 and molecular weight 337.23 g/mol. IUPAC: ethyl 2-[2-hydroxy-3-(propan-2-ylamino)propoxy]-6-methyl-3-propan-2-ylbenzoate.
Chemical Property Profile of RefChem:367651
Property Insights of RefChem:367651
The XLogP value of 3.4 indicates that RefChem:367651 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 67.8 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:367651. Following Lipinski's Rule of Five, RefChem:367651 has 2 hydrogen bond donor(s) and 5 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:367651?
The CAS number of RefChem:367651 is 53251-86-8.
What is the molecular formula of RefChem:367651?
The molecular formula of RefChem:367651 is C19H31NO4.
What is the molecular weight of RefChem:367651?
The molecular weight of RefChem:367651 is 337.23 g/mol.
Where can I buy RefChem:367651?
You can request a quote for RefChem:367651 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:367651?
Yes, KEHONG BIO provides custom synthesis services for RefChem:367651 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.