Indomethacin octyl ester
TL;DR: Indomethacin octyl ester (CAS 65474-27-3) is a chemical compound with molecular formula C27H32ClNO4 and molecular weight 469.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
octyl 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetate
Also Known As: Indomethacin octyl ester, Indomethacin, octyl ester, octyl 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetate, Octyl [1-(4-chlorobenzoyl)-5-methoxy-2-methyl-1H-indol-3-yl]acetate, octyl 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methyl-1H-indol-3-yl]acetate
| Molecular Formula | C27H32ClNO4 |
|---|---|
| Molecular Weight | 469.20 g/mol |
| LogP | 8.0 |
| Topological Polar Surface Area | 57.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 12 |
| Exact Mass | 469.202 |
| Heavy Atoms | 33 |
| Complexity | 621.0 |
Chemical Identifiers
| CAS Number | 65474-27-3 |
|---|---|
| SMILES | CCCCCCCCOC(=O)CC1=C(N(C2=C1C=C(C=C2)OC)C(=O)C3=CC=C(C=C3)Cl)C |
| InChIKey | UFPZDYZMJGWJFG-UHFFFAOYSA-N |
Product Overview
Indomethacin octyl ester (CAS 65474-27-3), with molecular formula C27H32ClNO4 and molecular weight 469.20 g/mol. IUPAC: octyl 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetate.
Chemical Property Profile of Indomethacin octyl ester
Property Insights of Indomethacin octyl ester
The XLogP value of 8.0 indicates that Indomethacin octyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.5 Ų, Indomethacin octyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Indomethacin octyl ester has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Indomethacin octyl ester?
The CAS number of Indomethacin octyl ester is 65474-27-3.
What is the molecular formula of Indomethacin octyl ester?
The molecular formula of Indomethacin octyl ester is C27H32ClNO4.
What is the molecular weight of Indomethacin octyl ester?
The molecular weight of Indomethacin octyl ester is 469.20 g/mol.
Where can I buy Indomethacin octyl ester?
You can request a quote for Indomethacin octyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Indomethacin octyl ester?
Yes, KEHONG BIO provides custom synthesis services for Indomethacin octyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.