RefChem:327408
TL;DR: RefChem:327408 (CAS 67114-23-2) is a chemical compound with molecular formula C27H37NO7 and molecular weight 487.26 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[2-(4-ethoxycarbonylphenyl)ethyl-ethylamino]butyl 3,4,5-trimethoxybenzoate
Also Known As: Benzoic acid, 4-(2-(N-ethyl-N-(4-hydroxybutyl)amino)ethyl)-, ethyl ester, 3,4,5-trimethoxybenzoate (ester), 4-[2-[N-Ethyl-N-[4- butyl]amino]ethyl]benzoicacidethylester, 4-[2-(4-Ethoxycarbonylphenyl)ethyl-ethylamino]butyl3,4,5-trimethoxybenzoate, 4-({2-[4-(ethoxycarbonyl)phenyl]ethyl}(ethyl)amino)butyl 3,4,5-trimethoxybenzoate, 4-[{2-[4-(Ethoxycarbonyl)phenyl]ethyl}(ethyl)amino]butyl 3,4,5-trimethoxybenzoate
| Molecular Formula | C27H37NO7 |
|---|---|
| Molecular Weight | 487.26 g/mol |
| LogP | 5.0 |
| Topological Polar Surface Area | 83.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 17 |
| Exact Mass | 487.257 |
| Heavy Atoms | 35 |
| Complexity | 594.0 |
Chemical Identifiers
| CAS Number | 67114-23-2 |
|---|---|
| SMILES | CCN(CCCCOC(=O)C1=CC(=C(C(=C1)OC)OC)OC)CCC2=CC=C(C=C2)C(=O)OCC |
| InChIKey | DNABOXHEQOCGIJ-UHFFFAOYSA-N |
Product Overview
RefChem:327408 (CAS 67114-23-2), with molecular formula C27H37NO7 and molecular weight 487.26 g/mol. IUPAC: 4-[2-(4-ethoxycarbonylphenyl)ethyl-ethylamino]butyl 3,4,5-trimethoxybenzoate.
Chemical Property Profile of RefChem:327408
Property Insights of RefChem:327408
The XLogP value of 5.0 indicates that RefChem:327408 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.5 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:327408. Following Lipinski's Rule of Five, RefChem:327408 has 0 hydrogen bond donor(s) and 8 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:327408?
The CAS number of RefChem:327408 is 67114-23-2.
What is the molecular formula of RefChem:327408?
The molecular formula of RefChem:327408 is C27H37NO7.
What is the molecular weight of RefChem:327408?
The molecular weight of RefChem:327408 is 487.26 g/mol.
Where can I buy RefChem:327408?
You can request a quote for RefChem:327408 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:327408?
Yes, KEHONG BIO provides custom synthesis services for RefChem:327408 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.