1H-Pyrrole-3-carboxylic acid, 1,2-dimethyl-4-phenyl-, methyl ester
TL;DR: 1H-Pyrrole-3-carboxylic acid, 1,2-dimethyl-4-phenyl-, methyl ester (CAS 117648-80-3) is a chemical compound with molecular formula C14H15NO2 and molecular weight 229.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 1,2-dimethyl-4-phenylpyrrole-3-carboxylate
Also Known As: methyl 1,2-dimethyl-4-phenylpyrrole-3-carboxylate, methyl 1,2-dimethyl-4-phenyl-1H-pyrrole-3-carboxylate, 1H-Pyrrole-3-carboxylic acid, 1,2-dimethyl-4-phenyl-, methyl ester, 1H-Pyrrole-3-carboxylic acid,1,2-dimethyl-4-phenyl-,methyl ester
| Molecular Formula | C14H15NO2 |
|---|---|
| Molecular Weight | 229.11 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 31.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 229.11028 |
| Heavy Atoms | 17 |
| Complexity | 273.0 |
Chemical Identifiers
| CAS Number | 117648-80-3 |
|---|---|
| SMILES | CC1=C(C(=CN1C)C2=CC=CC=C2)C(=O)OC |
| InChIKey | ATTSQWLATWOREI-UHFFFAOYSA-N |
Product Overview
1H-Pyrrole-3-carboxylic acid, 1,2-dimethyl-4-phenyl-, methyl ester (CAS 117648-80-3), with molecular formula C14H15NO2 and molecular weight 229.11 g/mol. IUPAC: methyl 1,2-dimethyl-4-phenylpyrrole-3-carboxylate.
Chemical Property Profile of 1H-Pyrrole-3-carboxylic acid, 1,2-dimethyl-4-phenyl-, methyl ester
Property Insights of 1H-Pyrrole-3-carboxylic acid, 1,2-dimethyl-4-phenyl-, methyl ester
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1H-Pyrrole-3-carboxylic acid, 1,2-dimethyl-4-phenyl-, methyl ester. With a topological polar surface area (TPSA) of 31.2 Ų, 1H-Pyrrole-3-carboxylic acid, 1,2-dimethyl-4-phenyl-, methyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1H-Pyrrole-3-carboxylic acid, 1,2-dimethyl-4-phenyl-, methyl ester has 0 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, 1,2-dimethyl-4-phenyl-, methyl ester?
The CAS number of 1H-Pyrrole-3-carboxylic acid, 1,2-dimethyl-4-phenyl-, methyl ester is 117648-80-3.
What is the molecular formula of 1H-Pyrrole-3-carboxylic acid, 1,2-dimethyl-4-phenyl-, methyl ester?
The molecular formula of 1H-Pyrrole-3-carboxylic acid, 1,2-dimethyl-4-phenyl-, methyl ester is C14H15NO2.
What is the molecular weight of 1H-Pyrrole-3-carboxylic acid, 1,2-dimethyl-4-phenyl-, methyl ester?
The molecular weight of 1H-Pyrrole-3-carboxylic acid, 1,2-dimethyl-4-phenyl-, methyl ester is 229.11 g/mol.
Where can I buy 1H-Pyrrole-3-carboxylic acid, 1,2-dimethyl-4-phenyl-, methyl ester?
You can request a quote for 1H-Pyrrole-3-carboxylic acid, 1,2-dimethyl-4-phenyl-, 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, 1,2-dimethyl-4-phenyl-, methyl ester?
Yes, KEHONG BIO provides custom synthesis services for 1H-Pyrrole-3-carboxylic acid, 1,2-dimethyl-4-phenyl-, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.