Duometacin
TL;DR: Duometacin (CAS 25771-23-7) is a chemical compound with molecular formula C20H19NO5 and molecular weight 353.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[6-methoxy-3-(4-methoxybenzoyl)-2-methylindol-1-yl]acetic acid
Also Known As: Duometacin, Duometacina, Duometacine, Duometacinum, Duometacin [INN:DCF]
| Molecular Formula | C20H19NO5 |
|---|---|
| Molecular Weight | 353.13 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 77.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 353.1263 |
| Heavy Atoms | 26 |
| Complexity | 516.0 |
Chemical Identifiers
| CAS Number | 25771-23-7 |
|---|---|
| SMILES | CC1=C(C2=C(N1CC(=O)O)C=C(C=C2)OC)C(=O)C3=CC=C(C=C3)OC |
| InChIKey | NWNBRKHCXIQLDT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Duometacin (CAS 25771-23-7), with molecular formula C20H19NO5 and molecular weight 353.13 g/mol. IUPAC: 2-[6-methoxy-3-(4-methoxybenzoyl)-2-methylindol-1-yl]acetic acid.
Chemical Property Profile of Duometacin
Property Insights of Duometacin
The XLogP value of 3.4 indicates that Duometacin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 77.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Duometacin. Following Lipinski's Rule of Five, Duometacin has 1 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 Duometacin?
The CAS number of Duometacin is 25771-23-7.
What is the molecular formula of Duometacin?
The molecular formula of Duometacin is C20H19NO5.
What is the molecular weight of Duometacin?
The molecular weight of Duometacin is 353.13 g/mol.
Where can I buy Duometacin?
You can request a quote for Duometacin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Duometacin?
Yes, KEHONG BIO provides custom synthesis services for Duometacin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.