Methyl 1-methyl-5-(4-methylbenzoyl)-1H-pyrrole-2-acetate
TL;DR: Methyl 1-methyl-5-(4-methylbenzoyl)-1H-pyrrole-2-acetate (CAS 33369-52-7) is a chemical compound with molecular formula C16H17NO3 and molecular weight 271.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[1-methyl-5-(4-methylbenzoyl)pyrrol-2-yl]acetate
Also Known As: Tolmetin methyl ester, Methyl 1-methyl-5-(4-methylbenzoyl)-1H-pyrrole-2-acetate, methyl 2-[1-methyl-5-(4-methylbenzoyl)pyrrol-2-yl]acetate, Methyl 2-(1-methyl-5-(4-methylbenzoyl)-1H-pyrrol-2-yl)acetate, methyl 2-[1-methyl-5-(4-methylbenzoyl)-1H-pyrrol-2-yl]acetate
| Molecular Formula | C16H17NO3 |
|---|---|
| Molecular Weight | 271.12 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 48.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 271.12085 |
| Heavy Atoms | 20 |
| Complexity | 361.0 |
Chemical Identifiers
| CAS Number | 33369-52-7 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C(=O)C2=CC=C(N2C)CC(=O)OC |
| InChIKey | SIXINSDWVSIFEY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl 1-methyl-5-(4-methylbenzoyl)-1H-pyrrole-2-acetate (CAS 33369-52-7), with molecular formula C16H17NO3 and molecular weight 271.12 g/mol. IUPAC: methyl 2-[1-methyl-5-(4-methylbenzoyl)pyrrol-2-yl]acetate.
Chemical Property Profile of Methyl 1-methyl-5-(4-methylbenzoyl)-1H-pyrrole-2-acetate
Property Insights of Methyl 1-methyl-5-(4-methylbenzoyl)-1H-pyrrole-2-acetate
The XLogP value of 3.1 indicates that Methyl 1-methyl-5-(4-methylbenzoyl)-1H-pyrrole-2-acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 48.3 Ų, Methyl 1-methyl-5-(4-methylbenzoyl)-1H-pyrrole-2-acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 1-methyl-5-(4-methylbenzoyl)-1H-pyrrole-2-acetate has 0 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 Methyl 1-methyl-5-(4-methylbenzoyl)-1H-pyrrole-2-acetate?
The CAS number of Methyl 1-methyl-5-(4-methylbenzoyl)-1H-pyrrole-2-acetate is 33369-52-7.
What is the molecular formula of Methyl 1-methyl-5-(4-methylbenzoyl)-1H-pyrrole-2-acetate?
The molecular formula of Methyl 1-methyl-5-(4-methylbenzoyl)-1H-pyrrole-2-acetate is C16H17NO3.
What is the molecular weight of Methyl 1-methyl-5-(4-methylbenzoyl)-1H-pyrrole-2-acetate?
The molecular weight of Methyl 1-methyl-5-(4-methylbenzoyl)-1H-pyrrole-2-acetate is 271.12 g/mol.
Where can I buy Methyl 1-methyl-5-(4-methylbenzoyl)-1H-pyrrole-2-acetate?
You can request a quote for Methyl 1-methyl-5-(4-methylbenzoyl)-1H-pyrrole-2-acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 1-methyl-5-(4-methylbenzoyl)-1H-pyrrole-2-acetate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 1-methyl-5-(4-methylbenzoyl)-1H-pyrrole-2-acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.