Indomethacin diethylamino ethyl ester
TL;DR: Indomethacin diethylamino ethyl ester (CAS 78667-03-5) is a chemical compound with molecular formula C25H29ClN2O4 and molecular weight 456.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(diethylamino)ethyl 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetate
Also Known As: Indomethacin diethylamino ethyl ester, 1H-Indole-3-acetic acid, 1-(4-chlorobenzoyl)-5-methoxy-2-methyl-, 2-(diethylamino)ethyl ester, 2-(Diethylamino)ethyl 1-(4-chlorobenzoyl)-5-methoxy-2-methyl-1H-indole-3-acetate, 1-(4-Chlorobenzoyl)-2-methyl-5-methoxy-1H-indole-3-acetic acid 2-(diethylamino)ethyl ester, 2-(Diethylamino)ethyl [1-(4-chlorobenzoyl)-5-methoxy-2-methyl-1H-indol-3-yl]acetate
| Molecular Formula | C25H29ClN2O4 |
|---|---|
| Molecular Weight | 456.18 g/mol |
| LogP | 4.72772 |
| Topological Polar Surface Area | 60.77 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 456.18158 |
| Heavy Atoms | 32 |
| Complexity | 1101.3225 |
Chemical Identifiers
| CAS Number | 78667-03-5 |
|---|---|
| SMILES | CCN(CC)CCOC(=O)CC1=C(N(C2=C1C=C(C=C2)OC)C(=O)C3=CC=C(C=C3)Cl)C |
Product Overview
Indomethacin diethylamino ethyl ester (CAS 78667-03-5), with molecular formula C25H29ClN2O4 and molecular weight 456.18 g/mol. IUPAC: 2-(diethylamino)ethyl 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetate.
Chemical Property Profile of Indomethacin diethylamino ethyl ester
Property Insights of Indomethacin diethylamino ethyl ester
The XLogP value of 4.72772 indicates that Indomethacin diethylamino ethyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 60.77 Ų falls within the moderate polarity range, balancing permeability and solubility for Indomethacin diethylamino ethyl ester. Following Lipinski's Rule of Five, Indomethacin diethylamino ethyl ester has 0 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 Indomethacin diethylamino ethyl ester?
The CAS number of Indomethacin diethylamino ethyl ester is 78667-03-5.
What is the molecular formula of Indomethacin diethylamino ethyl ester?
The molecular formula of Indomethacin diethylamino ethyl ester is C25H29ClN2O4.
What is the molecular weight of Indomethacin diethylamino ethyl ester?
The molecular weight of Indomethacin diethylamino ethyl ester is 456.18 g/mol.
Where can I buy Indomethacin diethylamino ethyl ester?
You can request a quote for Indomethacin diethylamino ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Indomethacin diethylamino ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Indomethacin diethylamino ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.