5-((Benzyloxy)carbonyl)-3-(ethoxycarbonyl)-4-methyl-1H-pyrrole-2-carboxylic acid
TL;DR: 5-((Benzyloxy)carbonyl)-3-(ethoxycarbonyl)-4-methyl-1H-pyrrole-2-carboxylic acid (CAS 975-45-1) is a chemical compound with molecular formula C17H17NO6 and molecular weight 331.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-ethoxycarbonyl-4-methyl-5-phenylmethoxycarbonyl-1H-pyrrole-2-carboxylic acid
Also Known As: 3-ethoxycarbonyl-4-methyl-5-phenylmethoxycarbonyl-1H-pyrrole-2-carboxylic Acid, 5-((Benzyloxy)carbonyl)-3-(ethoxycarbonyl)-4-methyl-1H-pyrrole-2-carboxylic acid, 5-[(benzyloxy)carbonyl]-3-(ethoxycarbonyl)-4-methyl-1H-pyrrole-2-carboxylic acid
| Molecular Formula | C17H17NO6 |
|---|---|
| Molecular Weight | 331.11 g/mol |
| LogP | 2.55502 |
| Topological Polar Surface Area | 105.69 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 331.1056 |
| Heavy Atoms | 24 |
| Complexity | 762.888 |
Chemical Identifiers
| CAS Number | 975-45-1 |
|---|---|
| SMILES | CCOC(=O)C1=C(NC(=C1C)C(=O)OCC2=CC=CC=C2)C(=O)O |
Product Overview
5-((Benzyloxy)carbonyl)-3-(ethoxycarbonyl)-4-methyl-1H-pyrrole-2-carboxylic acid (CAS 975-45-1), with molecular formula C17H17NO6 and molecular weight 331.11 g/mol. IUPAC: 3-ethoxycarbonyl-4-methyl-5-phenylmethoxycarbonyl-1H-pyrrole-2-carboxylic acid.
Chemical Property Profile of 5-((Benzyloxy)carbonyl)-3-(ethoxycarbonyl)-4-methyl-1H-pyrrole-2-carboxylic acid
Property Insights of 5-((Benzyloxy)carbonyl)-3-(ethoxycarbonyl)-4-methyl-1H-pyrrole-2-carboxylic acid
The XLogP value of 2.55502 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-((Benzyloxy)carbonyl)-3-(ethoxycarbonyl)-4-methyl-1H-pyrrole-2-carboxylic acid. The TPSA of 105.69 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-((Benzyloxy)carbonyl)-3-(ethoxycarbonyl)-4-methyl-1H-pyrrole-2-carboxylic acid. Following Lipinski's Rule of Five, 5-((Benzyloxy)carbonyl)-3-(ethoxycarbonyl)-4-methyl-1H-pyrrole-2-carboxylic acid has 2 hydrogen bond donor(s) and 5 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 5-((Benzyloxy)carbonyl)-3-(ethoxycarbonyl)-4-methyl-1H-pyrrole-2-carboxylic acid?
The CAS number of 5-((Benzyloxy)carbonyl)-3-(ethoxycarbonyl)-4-methyl-1H-pyrrole-2-carboxylic acid is 975-45-1.
What is the molecular formula of 5-((Benzyloxy)carbonyl)-3-(ethoxycarbonyl)-4-methyl-1H-pyrrole-2-carboxylic acid?
The molecular formula of 5-((Benzyloxy)carbonyl)-3-(ethoxycarbonyl)-4-methyl-1H-pyrrole-2-carboxylic acid is C17H17NO6.
What is the molecular weight of 5-((Benzyloxy)carbonyl)-3-(ethoxycarbonyl)-4-methyl-1H-pyrrole-2-carboxylic acid?
The molecular weight of 5-((Benzyloxy)carbonyl)-3-(ethoxycarbonyl)-4-methyl-1H-pyrrole-2-carboxylic acid is 331.11 g/mol.
Where can I buy 5-((Benzyloxy)carbonyl)-3-(ethoxycarbonyl)-4-methyl-1H-pyrrole-2-carboxylic acid?
You can request a quote for 5-((Benzyloxy)carbonyl)-3-(ethoxycarbonyl)-4-methyl-1H-pyrrole-2-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-((Benzyloxy)carbonyl)-3-(ethoxycarbonyl)-4-methyl-1H-pyrrole-2-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 5-((Benzyloxy)carbonyl)-3-(ethoxycarbonyl)-4-methyl-1H-pyrrole-2-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.