Indomethacin 1-Glycerin Ester
TL;DR: Indomethacin 1-Glycerin Ester (CAS 71848-87-8) is a chemical compound with molecular formula C22H22ClNO6 and molecular weight 431.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,3-dihydroxypropyl 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetate
Also Known As: Indomethacin 1-Glycerin Ester, Indomethacin Impurity 9, Indometacin Impurity 21, Indometacin 1-Glycerin Ester, 2,3-dihydroxypropyl [1-(4-chlorobenzoyl)-5-methoxy-2-methyl-1H-indol-3-yl]acetate
| Molecular Formula | C22H22ClNO6 |
|---|---|
| Molecular Weight | 431.11 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 98.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 431.11356 |
| Heavy Atoms | 30 |
| Complexity | 596.0 |
Chemical Identifiers
| CAS Number | 71848-87-8 |
|---|---|
| SMILES | CC1=C(C2=C(N1C(=O)C3=CC=C(C=C3)Cl)C=CC(=C2)OC)CC(=O)OCC(CO)O |
| InChIKey | AXVIECLQBNZXKG-UHFFFAOYSA-N |
Product Overview
Indomethacin 1-Glycerin Ester (CAS 71848-87-8), with molecular formula C22H22ClNO6 and molecular weight 431.11 g/mol. IUPAC: 2,3-dihydroxypropyl 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetate.
Chemical Property Profile of Indomethacin 1-Glycerin Ester
Property Insights of Indomethacin 1-Glycerin Ester
The XLogP value of 3.3 indicates that Indomethacin 1-Glycerin Ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 98.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Indomethacin 1-Glycerin Ester. Following Lipinski's Rule of Five, Indomethacin 1-Glycerin Ester has 2 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 Indomethacin 1-Glycerin Ester?
The CAS number of Indomethacin 1-Glycerin Ester is 71848-87-8.
What is the molecular formula of Indomethacin 1-Glycerin Ester?
The molecular formula of Indomethacin 1-Glycerin Ester is C22H22ClNO6.
What is the molecular weight of Indomethacin 1-Glycerin Ester?
The molecular weight of Indomethacin 1-Glycerin Ester is 431.11 g/mol.
Where can I buy Indomethacin 1-Glycerin Ester?
You can request a quote for Indomethacin 1-Glycerin Ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Indomethacin 1-Glycerin Ester?
Yes, KEHONG BIO provides custom synthesis services for Indomethacin 1-Glycerin Ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.