3-Carboxy-5-(4-chlorobenzoyl)-1,4-dimethyl-1H-pyrrole-2-acetic acid
TL;DR: 3-Carboxy-5-(4-chlorobenzoyl)-1,4-dimethyl-1H-pyrrole-2-acetic acid (CAS 33369-28-7) is a chemical compound with molecular formula C16H14ClNO5 and molecular weight 335.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(carboxymethyl)-5-(4-chlorobenzoyl)-1,4-dimethylpyrrole-3-carboxylic acid
Also Known As: 3-Carboxy-5-(4-chlorobenzoyl)-1,4-dimethyl-1H-pyrrole-2-acetic acid, 1h-pyrrole-2-acetic acid, 3-carboxy-5-(4-chlorobenzoyl)-1,4-dimethyl-, 2-(carboxymethyl)-5-(4-chlorobenzoyl)-1,4-dimethylpyrrole-3-carboxylic acid, 2-(carboxymethyl)-5-(4-chlorobenzoyl)-1,4-dimethyl-1H-pyrrole-3-carboxylic acid, 1H-Pyrrole-2-aceticacid, 3-carboxy-5-(4-chlorobenzoyl)-1,4-dimethyl-
| Molecular Formula | C16H14ClNO5 |
|---|---|
| Molecular Weight | 335.06 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 96.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 335.05606 |
| Heavy Atoms | 23 |
| Complexity | 489.0 |
Chemical Identifiers
| CAS Number | 33369-28-7 |
|---|---|
| SMILES | CC1=C(N(C(=C1C(=O)O)CC(=O)O)C)C(=O)C2=CC=C(C=C2)Cl |
| InChIKey | DPCBHULRLBCPAE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Carboxy-5-(4-chlorobenzoyl)-1,4-dimethyl-1H-pyrrole-2-acetic acid (CAS 33369-28-7), with molecular formula C16H14ClNO5 and molecular weight 335.06 g/mol. IUPAC: 2-(carboxymethyl)-5-(4-chlorobenzoyl)-1,4-dimethylpyrrole-3-carboxylic acid.
Chemical Property Profile of 3-Carboxy-5-(4-chlorobenzoyl)-1,4-dimethyl-1H-pyrrole-2-acetic acid
Property Insights of 3-Carboxy-5-(4-chlorobenzoyl)-1,4-dimethyl-1H-pyrrole-2-acetic acid
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Carboxy-5-(4-chlorobenzoyl)-1,4-dimethyl-1H-pyrrole-2-acetic acid. The TPSA of 96.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Carboxy-5-(4-chlorobenzoyl)-1,4-dimethyl-1H-pyrrole-2-acetic acid. Following Lipinski's Rule of Five, 3-Carboxy-5-(4-chlorobenzoyl)-1,4-dimethyl-1H-pyrrole-2-acetic acid has 2 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 3-Carboxy-5-(4-chlorobenzoyl)-1,4-dimethyl-1H-pyrrole-2-acetic acid?
The CAS number of 3-Carboxy-5-(4-chlorobenzoyl)-1,4-dimethyl-1H-pyrrole-2-acetic acid is 33369-28-7.
What is the molecular formula of 3-Carboxy-5-(4-chlorobenzoyl)-1,4-dimethyl-1H-pyrrole-2-acetic acid?
The molecular formula of 3-Carboxy-5-(4-chlorobenzoyl)-1,4-dimethyl-1H-pyrrole-2-acetic acid is C16H14ClNO5.
What is the molecular weight of 3-Carboxy-5-(4-chlorobenzoyl)-1,4-dimethyl-1H-pyrrole-2-acetic acid?
The molecular weight of 3-Carboxy-5-(4-chlorobenzoyl)-1,4-dimethyl-1H-pyrrole-2-acetic acid is 335.06 g/mol.
Where can I buy 3-Carboxy-5-(4-chlorobenzoyl)-1,4-dimethyl-1H-pyrrole-2-acetic acid?
You can request a quote for 3-Carboxy-5-(4-chlorobenzoyl)-1,4-dimethyl-1H-pyrrole-2-acetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Carboxy-5-(4-chlorobenzoyl)-1,4-dimethyl-1H-pyrrole-2-acetic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-Carboxy-5-(4-chlorobenzoyl)-1,4-dimethyl-1H-pyrrole-2-acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.