1H-Pyrrole-2-carboxylic acid, 4-acetyl-5-methyl-3-phenyl-, methyl ester
TL;DR: 1H-Pyrrole-2-carboxylic acid, 4-acetyl-5-methyl-3-phenyl-, methyl ester (CAS 89649-54-7) is a chemical compound with molecular formula C15H15NO3 and molecular weight 257.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-acetyl-5-methyl-3-phenyl-1H-pyrrole-2-carboxylate
Also Known As: Methyl 4-acetyl-5-methyl-3-phenyl-1H-pyrrole-2-carboxylate, J3.100.066A, 1H-Pyrrole-2-carboxylic acid, 4-acetyl-5-methyl-3-phenyl-, methyl ester, 4-Acetyl-5-methyl-3-phenyl-1H-pyrrole-2-carboxylic acid methyl ester, InChI=1/C15H15NO3/c1-9-12(10(2)17)13(11-7-5-4-6-8-11)14(16-9)15(18)19-3/h4-8,16H,1-3H
| Molecular Formula | C15H15NO3 |
|---|---|
| Molecular Weight | 257.11 g/mol |
| LogP | 2.97932 |
| Topological Polar Surface Area | 59.16 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 257.1052 |
| Heavy Atoms | 19 |
| Complexity | 626.3403 |
Chemical Identifiers
| CAS Number | 89649-54-7 |
|---|---|
| SMILES | CC1=C(C(=C(N1)C(=O)OC)C2=CC=CC=C2)C(=O)C |
Product Overview
1H-Pyrrole-2-carboxylic acid, 4-acetyl-5-methyl-3-phenyl-, methyl ester (CAS 89649-54-7), with molecular formula C15H15NO3 and molecular weight 257.11 g/mol. IUPAC: methyl 4-acetyl-5-methyl-3-phenyl-1H-pyrrole-2-carboxylate.
Chemical Property Profile of 1H-Pyrrole-2-carboxylic acid, 4-acetyl-5-methyl-3-phenyl-, methyl ester
Property Insights of 1H-Pyrrole-2-carboxylic acid, 4-acetyl-5-methyl-3-phenyl-, methyl ester
The XLogP value of 2.97932 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1H-Pyrrole-2-carboxylic acid, 4-acetyl-5-methyl-3-phenyl-, methyl ester. With a topological polar surface area (TPSA) of 59.16 Ų, 1H-Pyrrole-2-carboxylic acid, 4-acetyl-5-methyl-3-phenyl-, methyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1H-Pyrrole-2-carboxylic acid, 4-acetyl-5-methyl-3-phenyl-, methyl ester has 1 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 1H-Pyrrole-2-carboxylic acid, 4-acetyl-5-methyl-3-phenyl-, methyl ester?
The CAS number of 1H-Pyrrole-2-carboxylic acid, 4-acetyl-5-methyl-3-phenyl-, methyl ester is 89649-54-7.
What is the molecular formula of 1H-Pyrrole-2-carboxylic acid, 4-acetyl-5-methyl-3-phenyl-, methyl ester?
The molecular formula of 1H-Pyrrole-2-carboxylic acid, 4-acetyl-5-methyl-3-phenyl-, methyl ester is C15H15NO3.
What is the molecular weight of 1H-Pyrrole-2-carboxylic acid, 4-acetyl-5-methyl-3-phenyl-, methyl ester?
The molecular weight of 1H-Pyrrole-2-carboxylic acid, 4-acetyl-5-methyl-3-phenyl-, methyl ester is 257.11 g/mol.
Where can I buy 1H-Pyrrole-2-carboxylic acid, 4-acetyl-5-methyl-3-phenyl-, methyl ester?
You can request a quote for 1H-Pyrrole-2-carboxylic acid, 4-acetyl-5-methyl-3-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-carboxylic acid, 4-acetyl-5-methyl-3-phenyl-, methyl ester?
Yes, KEHONG BIO provides custom synthesis services for 1H-Pyrrole-2-carboxylic acid, 4-acetyl-5-methyl-3-phenyl-, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.