1H-Pyrrole-1-acetic acid, 3-(ethoxycarbonyl)-2-methyl-5-phenyl-
TL;DR: 1H-Pyrrole-1-acetic acid, 3-(ethoxycarbonyl)-2-methyl-5-phenyl- (CAS 679797-47-8) is a chemical compound with molecular formula C16H17NO4 and molecular weight 287.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3-ethoxycarbonyl-2-methyl-5-phenylpyrrol-1-yl)acetic acid
Also Known As: ChemDiv3_014366, 1H-Pyrrole-1-acetic acid, 3-(ethoxycarbonyl)-2-methyl-5-phenyl-, IDI1_030164, 2-(3-ethoxycarbonyl-2-methyl-5-phenylpyrrol-1-yl)acetic acid, 2-(3-(Ethoxycarbonyl)-2-methyl-5-phenyl-1H-pyrrol-1-yl)acetic acid
| Molecular Formula | C16H17NO4 |
|---|---|
| Molecular Weight | 287.12 g/mol |
| LogP | 2.72482 |
| Topological Polar Surface Area | 68.53 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 287.11575 |
| Heavy Atoms | 21 |
| Complexity | 658.41656 |
Chemical Identifiers
| CAS Number | 679797-47-8 |
|---|---|
| SMILES | CCOC(=O)C1=C(N(C(=C1)C2=CC=CC=C2)CC(=O)O)C |
Product Overview
1H-Pyrrole-1-acetic acid, 3-(ethoxycarbonyl)-2-methyl-5-phenyl- (CAS 679797-47-8), with molecular formula C16H17NO4 and molecular weight 287.12 g/mol. IUPAC: 2-(3-ethoxycarbonyl-2-methyl-5-phenylpyrrol-1-yl)acetic acid.
Chemical Property Profile of 1H-Pyrrole-1-acetic acid, 3-(ethoxycarbonyl)-2-methyl-5-phenyl-
Property Insights of 1H-Pyrrole-1-acetic acid, 3-(ethoxycarbonyl)-2-methyl-5-phenyl-
The XLogP value of 2.72482 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1H-Pyrrole-1-acetic acid, 3-(ethoxycarbonyl)-2-methyl-5-phenyl-. The TPSA of 68.53 Ų falls within the moderate polarity range, balancing permeability and solubility for 1H-Pyrrole-1-acetic acid, 3-(ethoxycarbonyl)-2-methyl-5-phenyl-. Following Lipinski's Rule of Five, 1H-Pyrrole-1-acetic acid, 3-(ethoxycarbonyl)-2-methyl-5-phenyl- 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-1-acetic acid, 3-(ethoxycarbonyl)-2-methyl-5-phenyl-?
The CAS number of 1H-Pyrrole-1-acetic acid, 3-(ethoxycarbonyl)-2-methyl-5-phenyl- is 679797-47-8.
What is the molecular formula of 1H-Pyrrole-1-acetic acid, 3-(ethoxycarbonyl)-2-methyl-5-phenyl-?
The molecular formula of 1H-Pyrrole-1-acetic acid, 3-(ethoxycarbonyl)-2-methyl-5-phenyl- is C16H17NO4.
What is the molecular weight of 1H-Pyrrole-1-acetic acid, 3-(ethoxycarbonyl)-2-methyl-5-phenyl-?
The molecular weight of 1H-Pyrrole-1-acetic acid, 3-(ethoxycarbonyl)-2-methyl-5-phenyl- is 287.12 g/mol.
Where can I buy 1H-Pyrrole-1-acetic acid, 3-(ethoxycarbonyl)-2-methyl-5-phenyl-?
You can request a quote for 1H-Pyrrole-1-acetic acid, 3-(ethoxycarbonyl)-2-methyl-5-phenyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1H-Pyrrole-1-acetic acid, 3-(ethoxycarbonyl)-2-methyl-5-phenyl-?
Yes, KEHONG BIO provides custom synthesis services for 1H-Pyrrole-1-acetic acid, 3-(ethoxycarbonyl)-2-methyl-5-phenyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.