Pyrrole-3-carboxylic acid, 4-amino-5-phenyl-, ethyl ester, monohydrochloride
TL;DR: Pyrrole-3-carboxylic acid, 4-amino-5-phenyl-, ethyl ester, monohydrochloride (CAS 59133-30-1) is a chemical compound with molecular formula C13H15ClN2O2 and molecular weight 266.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-amino-5-phenyl-1H-pyrrole-3-carboxylate;hydrochloride
Also Known As: Pyrrole-3-carboxylic acid, 4-amino-5-phenyl-, ethyl ester, monohydrochloride, 4-Amino-5-phenylpyrrole-3-carboxylic acid ethyl ester hydrochloride, ethyl 4-amino-5-phenyl-1H-pyrrole-3-carboxylate hydrochloride, ethyl 4-amino-5-phenyl-1H-pyrrole-3-carboxylate,hydrochloride, Ethyl 4-amino-5-phenyl-1H-pyrrole-3-carboxylate--hydrogen chloride (1/1)
| Molecular Formula | C13H15ClN2O2 |
|---|---|
| Molecular Weight | 266.08 g/mol |
| LogP | 2.8624 |
| Topological Polar Surface Area | 68.11 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 266.0822 |
| Heavy Atoms | 18 |
| Complexity | 523.0424 |
Chemical Identifiers
| CAS Number | 59133-30-1 |
|---|---|
| SMILES | CCOC(=O)C1=CNC(=C1N)C2=CC=CC=C2.Cl |
Product Overview
Pyrrole-3-carboxylic acid, 4-amino-5-phenyl-, ethyl ester, monohydrochloride (CAS 59133-30-1), with molecular formula C13H15ClN2O2 and molecular weight 266.08 g/mol. IUPAC: ethyl 4-amino-5-phenyl-1H-pyrrole-3-carboxylate;hydrochloride.
Chemical Property Profile of Pyrrole-3-carboxylic acid, 4-amino-5-phenyl-, ethyl ester, monohydrochloride
Property Insights of Pyrrole-3-carboxylic acid, 4-amino-5-phenyl-, ethyl ester, monohydrochloride
The XLogP value of 2.8624 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Pyrrole-3-carboxylic acid, 4-amino-5-phenyl-, ethyl ester, monohydrochloride. The TPSA of 68.11 Ų falls within the moderate polarity range, balancing permeability and solubility for Pyrrole-3-carboxylic acid, 4-amino-5-phenyl-, ethyl ester, monohydrochloride. Following Lipinski's Rule of Five, Pyrrole-3-carboxylic acid, 4-amino-5-phenyl-, ethyl ester, monohydrochloride has 2 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 Pyrrole-3-carboxylic acid, 4-amino-5-phenyl-, ethyl ester, monohydrochloride?
The CAS number of Pyrrole-3-carboxylic acid, 4-amino-5-phenyl-, ethyl ester, monohydrochloride is 59133-30-1.
What is the molecular formula of Pyrrole-3-carboxylic acid, 4-amino-5-phenyl-, ethyl ester, monohydrochloride?
The molecular formula of Pyrrole-3-carboxylic acid, 4-amino-5-phenyl-, ethyl ester, monohydrochloride is C13H15ClN2O2.
What is the molecular weight of Pyrrole-3-carboxylic acid, 4-amino-5-phenyl-, ethyl ester, monohydrochloride?
The molecular weight of Pyrrole-3-carboxylic acid, 4-amino-5-phenyl-, ethyl ester, monohydrochloride is 266.08 g/mol.
Where can I buy Pyrrole-3-carboxylic acid, 4-amino-5-phenyl-, ethyl ester, monohydrochloride?
You can request a quote for Pyrrole-3-carboxylic acid, 4-amino-5-phenyl-, ethyl ester, monohydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pyrrole-3-carboxylic acid, 4-amino-5-phenyl-, ethyl ester, monohydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Pyrrole-3-carboxylic acid, 4-amino-5-phenyl-, ethyl ester, monohydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.