托美丁
TL;DR: 托美丁 (CAS 26171-23-3) is a chemical compound with molecular formula C15H15NO3 and molecular weight 257.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
托美丁
2-[1-methyl-5-(4-methylbenzoyl)pyrrol-2-yl]acetic acid
Also Known As: tolmetin, Tolmetine, Tolectin, Tolmetinum, Tolmetina
| Molecular Formula | C15H15NO3 |
|---|---|
| Molecular Weight | 257.11 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 59.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 257.1052 |
| Heavy Atoms | 19 |
| Complexity | 347.0 |
| Melting Point | 156 |
| Solubility | 222 |
Chemical Identifiers
| CAS Number | 26171-23-3 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C(=O)C2=CC=C(N2C)CC(=O)O |
| InChIKey | UPSPUYADGBWSHF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 18 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
托美丁 (CAS 26171-23-3), with molecular formula C15H15NO3 and molecular weight 257.11 g/mol. IUPAC: 2-[1-methyl-5-(4-methylbenzoyl)pyrrol-2-yl]acetic acid.
Chemical Property Profile of 托美丁
Property Insights of 托美丁
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 托美丁. With a topological polar surface area (TPSA) of 59.3 Ų, 托美丁 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 托美丁 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 托美丁?
The CAS number of 托美丁 is 26171-23-3.
What is the molecular formula of 托美丁?
The molecular formula of 托美丁 is C15H15NO3.
What is the molecular weight of 托美丁?
The molecular weight of 托美丁 is 257.11 g/mol.
Where can I buy 托美丁?
You can request a quote for 托美丁 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 托美丁?
Yes, KEHONG BIO provides custom synthesis services for 托美丁 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.