Talmetacin
TL;DR: Talmetacin (CAS 67489-39-8) is a chemical compound with molecular formula C27H20ClNO6 and molecular weight 489.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-oxo-1H-2-benzofuran-1-yl) 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetate
Also Known As: Talmetacin, Talmetacina, Talmetacine, Talmetacinum, Talmetacin [USAN:INN]
| Molecular Formula | C27H20ClNO6 |
|---|---|
| Molecular Weight | 489.10 g/mol |
| LogP | 5.8 |
| Topological Polar Surface Area | 83.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 489.0979 |
| Heavy Atoms | 35 |
| Complexity | 813.0 |
Chemical Identifiers
| CAS Number | 67489-39-8 |
|---|---|
| SMILES | CC1=C(C2=C(N1C(=O)C3=CC=C(C=C3)Cl)C=CC(=C2)OC)CC(=O)OC4C5=CC=CC=C5C(=O)O4 |
| InChIKey | XYRIRLDHOQSNLW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 11 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Talmetacin (CAS 67489-39-8), with molecular formula C27H20ClNO6 and molecular weight 489.10 g/mol. IUPAC: (3-oxo-1H-2-benzofuran-1-yl) 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetate.
Chemical Property Profile of Talmetacin
Property Insights of Talmetacin
The XLogP value of 5.8 indicates that Talmetacin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Talmetacin. Following Lipinski's Rule of Five, Talmetacin has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Talmetacin?
The CAS number of Talmetacin is 67489-39-8.
What is the molecular formula of Talmetacin?
The molecular formula of Talmetacin is C27H20ClNO6.
What is the molecular weight of Talmetacin?
The molecular weight of Talmetacin is 489.10 g/mol.
Where can I buy Talmetacin?
You can request a quote for Talmetacin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Talmetacin?
Yes, KEHONG BIO provides custom synthesis services for Talmetacin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.