Delmetacin
TL;DR: Delmetacin (CAS 16401-80-2) is a chemical compound with molecular formula C18H15NO3 and molecular weight 293.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1-benzoyl-2-methylindol-3-yl)acetic acid
Also Known As: Delmetacin, Delmetacina, Delmetacine, Delmetacinum, Demetacin
| Molecular Formula | C18H15NO3 |
|---|---|
| Molecular Weight | 293.11 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 59.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 293.1052 |
| Heavy Atoms | 22 |
| Complexity | 430.0 |
Chemical Identifiers
| CAS Number | 16401-80-2 |
|---|---|
| SMILES | CC1=C(C2=CC=CC=C2N1C(=O)C3=CC=CC=C3)CC(=O)O |
| InChIKey | AZCOEIZFVQEQCU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Delmetacin (CAS 16401-80-2), with molecular formula C18H15NO3 and molecular weight 293.11 g/mol. IUPAC: 2-(1-benzoyl-2-methylindol-3-yl)acetic acid.
Chemical Property Profile of Delmetacin
Property Insights of Delmetacin
The XLogP value of 3.7 indicates that Delmetacin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.3 Ų, Delmetacin exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Delmetacin 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 Delmetacin?
The CAS number of Delmetacin is 16401-80-2.
What is the molecular formula of Delmetacin?
The molecular formula of Delmetacin is C18H15NO3.
What is the molecular weight of Delmetacin?
The molecular weight of Delmetacin is 293.11 g/mol.
Where can I buy Delmetacin?
You can request a quote for Delmetacin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Delmetacin?
Yes, KEHONG BIO provides custom synthesis services for Delmetacin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.