酮咯酸
TL;DR: 酮咯酸 (CAS 74103-06-3) is a chemical compound with molecular formula C15H13NO3 and molecular weight 255.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
酮咯酸
5-benzoyl-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid
Also Known As: ketorolac, Ketorolaco, Ketorolacum, Ketoralac, Toradol
| Molecular Formula | C15H13NO3 |
|---|---|
| Molecular Weight | 255.09 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 59.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 255.08954 |
| Heavy Atoms | 19 |
| Complexity | 376.0 |
| Melting Point | 162-165 °C (tromethamine salt) |
| Solubility | 200 |
Chemical Identifiers
| CAS Number | 74103-06-3 |
|---|---|
| SMILES | C1CN2C(=CC=C2C(=O)C3=CC=CC=C3)C1C(=O)O |
| InChIKey | OZWKMVRBQXNZKK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 19 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
酮咯酸 (CAS 74103-06-3), with molecular formula C15H13NO3 and molecular weight 255.09 g/mol. IUPAC: 5-benzoyl-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid.
Chemical Property Profile of 酮咯酸
Property Insights of 酮咯酸
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 酮咯酸. With a topological polar surface area (TPSA) of 59.3 Ų, 酮咯酸 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 克多炎 has 1 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 克多炎?
The CAS number of 克多炎 is 74103-06-3.
What is the molecular formula of 克多炎?
The molecular formula of 克多炎 is C15H13NO3.
What is the molecular weight of 克多炎?
The molecular weight of 克多炎 is 255.09 g/mol.
Where can I buy 克多炎?
You can request a quote for 克多炎 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 克多炎?
Yes, KEHONG BIO provides custom synthesis services for 克多炎 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.