Ketorolac methyl ester
TL;DR: Ketorolac methyl ester (CAS 80965-09-9) is a chemical compound with molecular formula C16H15NO3 and molecular weight 269.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 5-benzoyl-2,3-dihydro-1H-pyrrolizine-1-carboxylate
Also Known As: Ketorolac methyl ester, Ketorolac EP Impurity H, Ketorolac Impurity H, Ketorolac methyl ester, (RS)-, Methyl 5-benzoyl-2,3-dihydro-1H-pyrrolizine-1-carboxylate
| Molecular Formula | C16H15NO3 |
|---|---|
| Molecular Weight | 269.11 g/mol |
| LogP | 2.3794 |
| Topological Polar Surface Area | 48.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 269.1052 |
| Heavy Atoms | 20 |
| Complexity | 657.61646 |
Chemical Identifiers
| CAS Number | 80965-09-9 |
|---|---|
| SMILES | COC(=O)C1CCN2C1=CC=C2C(=O)C3=CC=CC=C3 |
Product Overview
Ketorolac methyl ester (CAS 80965-09-9), with molecular formula C16H15NO3 and molecular weight 269.11 g/mol. IUPAC: methyl 5-benzoyl-2,3-dihydro-1H-pyrrolizine-1-carboxylate.
Chemical Property Profile of Ketorolac methyl ester
Property Insights of Ketorolac methyl ester
The XLogP value of 2.3794 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ketorolac methyl ester. With a topological polar surface area (TPSA) of 48.3 Ų, Ketorolac methyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ketorolac methyl ester has 0 hydrogen bond donor(s) and 3 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 Ketorolac methyl ester?
The CAS number of Ketorolac methyl ester is 80965-09-9.
What is the molecular formula of Ketorolac methyl ester?
The molecular formula of Ketorolac methyl ester is C16H15NO3.
What is the molecular weight of Ketorolac methyl ester?
The molecular weight of Ketorolac methyl ester is 269.11 g/mol.
Where can I buy Ketorolac methyl ester?
You can request a quote for Ketorolac methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ketorolac methyl ester?
Yes, KEHONG BIO provides custom synthesis services for Ketorolac methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.