Alclofenac monoethanolamine complex
TL;DR: Alclofenac monoethanolamine complex (CAS 22131-80-2) is a chemical compound with molecular formula C13H18ClNO4 and molecular weight 287.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-aminoethanol;2-(3-chloro-4-prop-2-enoxyphenyl)acetic acid
Also Known As: Mervan ethanolamine salt, alclofenac monoethanolamine, Alclofenac monoethanolamine complex, Acetic acid, 4-allyloxy-3-chlorophenyl-, compd. with 2-aminoethanol, 2-aminoethanol,2-(3-chloro-4-prop-2-enoxyphenyl)acetic acid
| Molecular Formula | C13H18ClNO4 |
|---|---|
| Molecular Weight | 287.09 g/mol |
| LogP | 1.4693 |
| Topological Polar Surface Area | 92.8 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 287.09244 |
| Heavy Atoms | 19 |
| Complexity | 240.0 |
Chemical Identifiers
| CAS Number | 22131-80-2 |
|---|---|
| SMILES | C=CCOC1=C(C=C(C=C1)CC(=O)O)Cl.C(CO)N |
| InChIKey | UDHFAAXTCWFTKP-UHFFFAOYSA-N |
Product Overview
Alclofenac monoethanolamine complex (CAS 22131-80-2), with molecular formula C13H18ClNO4 and molecular weight 287.09 g/mol. IUPAC: 2-aminoethanol;2-(3-chloro-4-prop-2-enoxyphenyl)acetic acid.
Chemical Property Profile of Alclofenac monoethanolamine complex
Property Insights of Alclofenac monoethanolamine complex
The XLogP value of 1.4693 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Alclofenac monoethanolamine complex. The TPSA of 92.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Alclofenac monoethanolamine complex. Following Lipinski's Rule of Five, Alclofenac monoethanolamine complex has 3 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 Alclofenac monoethanolamine complex?
The CAS number of Alclofenac monoethanolamine complex is 22131-80-2.
What is the molecular formula of Alclofenac monoethanolamine complex?
The molecular formula of Alclofenac monoethanolamine complex is C13H18ClNO4.
What is the molecular weight of Alclofenac monoethanolamine complex?
The molecular weight of Alclofenac monoethanolamine complex is 287.09 g/mol.
Where can I buy Alclofenac monoethanolamine complex?
You can request a quote for Alclofenac monoethanolamine complex directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Alclofenac monoethanolamine complex?
Yes, KEHONG BIO provides custom synthesis services for Alclofenac monoethanolamine complex and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.