1H-Pyrrole-3-carboxylic acid, 2,4-dimethyl-, methyl ester
TL;DR: 1H-Pyrrole-3-carboxylic acid, 2,4-dimethyl-, methyl ester (CAS 52459-90-2) is a chemical compound with molecular formula C8H11NO2 and molecular weight 153.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2,4-dimethyl-1H-pyrrole-3-carboxylate
Also Known As: Methyl 2,4-dimethyl-1H-pyrrole-3-carboxylate, 1H-Pyrrole-3-carboxylic acid, 2,4-dimethyl-, methyl ester, Methyl2,4-dimethyl-1H-pyrrole-3-carboxylate, 2,4-Dimethyl-1H-pyrrole-3-carboxylic acid methyl ester, 2,4-Dimethyl-pyrrol-3-carbonsaeure-methylester
| Molecular Formula | C8H11NO2 |
|---|---|
| Molecular Weight | 153.08 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 42.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 153.07898 |
| Heavy Atoms | 11 |
| Complexity | 158.0 |
Chemical Identifiers
| CAS Number | 52459-90-2 |
|---|---|
| SMILES | CC1=CNC(=C1C(=O)OC)C |
| InChIKey | WTRAMBVKRHNQQU-UHFFFAOYSA-N |
Product Overview
1H-Pyrrole-3-carboxylic acid, 2,4-dimethyl-, methyl ester (CAS 52459-90-2), with molecular formula C8H11NO2 and molecular weight 153.08 g/mol. IUPAC: methyl 2,4-dimethyl-1H-pyrrole-3-carboxylate.
Chemical Property Profile of 1H-Pyrrole-3-carboxylic acid, 2,4-dimethyl-, methyl ester
Property Insights of 1H-Pyrrole-3-carboxylic acid, 2,4-dimethyl-, methyl ester
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1H-Pyrrole-3-carboxylic acid, 2,4-dimethyl-, methyl ester. With a topological polar surface area (TPSA) of 42.1 Ų, 1H-Pyrrole-3-carboxylic acid, 2,4-dimethyl-, methyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1H-Pyrrole-3-carboxylic acid, 2,4-dimethyl-, methyl ester has 1 hydrogen bond donor(s) and 2 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 1H-Pyrrole-3-carboxylic acid, 2,4-dimethyl-, methyl ester?
The CAS number of 1H-Pyrrole-3-carboxylic acid, 2,4-dimethyl-, methyl ester is 52459-90-2.
What is the molecular formula of 1H-Pyrrole-3-carboxylic acid, 2,4-dimethyl-, methyl ester?
The molecular formula of 1H-Pyrrole-3-carboxylic acid, 2,4-dimethyl-, methyl ester is C8H11NO2.
What is the molecular weight of 1H-Pyrrole-3-carboxylic acid, 2,4-dimethyl-, methyl ester?
The molecular weight of 1H-Pyrrole-3-carboxylic acid, 2,4-dimethyl-, methyl ester is 153.08 g/mol.
Where can I buy 1H-Pyrrole-3-carboxylic acid, 2,4-dimethyl-, methyl ester?
You can request a quote for 1H-Pyrrole-3-carboxylic acid, 2,4-dimethyl-, methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1H-Pyrrole-3-carboxylic acid, 2,4-dimethyl-, methyl ester?
Yes, KEHONG BIO provides custom synthesis services for 1H-Pyrrole-3-carboxylic acid, 2,4-dimethyl-, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.