1H-Pyrrole-2-acetic acid, 3-(methoxycarbonyl)-4-phenyl-, methyl ester
TL;DR: 1H-Pyrrole-2-acetic acid, 3-(methoxycarbonyl)-4-phenyl-, methyl ester (CAS 162152-12-7) is a chemical compound with molecular formula C15H15NO4 and molecular weight 273.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-(2-methoxy-2-oxoethyl)-4-phenyl-1H-pyrrole-3-carboxylate
Also Known As: Pyrrole-2,3-diCOOH analog, Dimethyl 4-Phenyl-1H-pyrrole-2,3-dicarboxylate, 1H-Pyrrole-2-acetic acid, 3-(methoxycarbonyl)-4-phenyl-, methyl ester, methyl 2-(2-methoxy-2-oxoethyl)-4-phenyl-1H-pyrrole-3-carboxylate, 1H-Pyrrole-2-aceticacid, 3-(methoxycarbonyl)-4-phenyl-, methyl ester
| Molecular Formula | C15H15NO4 |
|---|---|
| Molecular Weight | 273.10 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 68.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 273.1001 |
| Heavy Atoms | 20 |
| Complexity | 352.0 |
Chemical Identifiers
| CAS Number | 162152-12-7 |
|---|---|
| SMILES | COC(=O)CC1=C(C(=CN1)C2=CC=CC=C2)C(=O)OC |
| InChIKey | WHJCFWCYNLHYMW-UHFFFAOYSA-N |
Product Overview
1H-Pyrrole-2-acetic acid, 3-(methoxycarbonyl)-4-phenyl-, methyl ester (CAS 162152-12-7), with molecular formula C15H15NO4 and molecular weight 273.10 g/mol. IUPAC: methyl 2-(2-methoxy-2-oxoethyl)-4-phenyl-1H-pyrrole-3-carboxylate.
Chemical Property Profile of 1H-Pyrrole-2-acetic acid, 3-(methoxycarbonyl)-4-phenyl-, methyl ester
Property Insights of 1H-Pyrrole-2-acetic acid, 3-(methoxycarbonyl)-4-phenyl-, methyl ester
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1H-Pyrrole-2-acetic acid, 3-(methoxycarbonyl)-4-phenyl-, methyl ester. The TPSA of 68.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 1H-Pyrrole-2-acetic acid, 3-(methoxycarbonyl)-4-phenyl-, methyl ester. Following Lipinski's Rule of Five, 1H-Pyrrole-2-acetic acid, 3-(methoxycarbonyl)-4-phenyl-, methyl ester has 1 hydrogen bond donor(s) and 4 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-2-acetic acid, 3-(methoxycarbonyl)-4-phenyl-, methyl ester?
The CAS number of 1H-Pyrrole-2-acetic acid, 3-(methoxycarbonyl)-4-phenyl-, methyl ester is 162152-12-7.
What is the molecular formula of 1H-Pyrrole-2-acetic acid, 3-(methoxycarbonyl)-4-phenyl-, methyl ester?
The molecular formula of 1H-Pyrrole-2-acetic acid, 3-(methoxycarbonyl)-4-phenyl-, methyl ester is C15H15NO4.
What is the molecular weight of 1H-Pyrrole-2-acetic acid, 3-(methoxycarbonyl)-4-phenyl-, methyl ester?
The molecular weight of 1H-Pyrrole-2-acetic acid, 3-(methoxycarbonyl)-4-phenyl-, methyl ester is 273.10 g/mol.
Where can I buy 1H-Pyrrole-2-acetic acid, 3-(methoxycarbonyl)-4-phenyl-, methyl ester?
You can request a quote for 1H-Pyrrole-2-acetic acid, 3-(methoxycarbonyl)-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-2-acetic acid, 3-(methoxycarbonyl)-4-phenyl-, methyl ester?
Yes, KEHONG BIO provides custom synthesis services for 1H-Pyrrole-2-acetic acid, 3-(methoxycarbonyl)-4-phenyl-, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.