Pyrrole-2,3-dicarboxylic acid, 4-amino-5-phenyl-, dimethyl ester, monohydrochloride
TL;DR: Pyrrole-2,3-dicarboxylic acid, 4-amino-5-phenyl-, dimethyl ester, monohydrochloride (CAS 59133-23-2) is a chemical compound with molecular formula C14H15ClN2O4 and molecular weight 310.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 4-amino-5-phenyl-1H-pyrrole-2,3-dicarboxylate;hydrochloride
Also Known As: Pyrrole-2,3-dicarboxylic acid, 4-amino-5-phenyl-, dimethyl ester, monohydrochloride, 4-Amino-5-phenylpyrrole-2,3-dicarboxylic acid dimethyl ester hydrochloride, 3-Amino-4,5-dicarbomethoxy-2-phenylpyrrole hydrochloride, dimethyl 4-amino-5-phenyl-1H-pyrrole-2,3-dicarboxylate hydrochloride, Dimethyl 4-amino-5-phenyl-1H-pyrrole-2,3-dicarboxylate--hydrogen chloride (1/1)
| Molecular Formula | C14H15ClN2O4 |
|---|---|
| Molecular Weight | 310.07 g/mol |
| LogP | 2.2589 |
| Topological Polar Surface Area | 94.41 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 310.07202 |
| Heavy Atoms | 21 |
| Complexity | 652.49365 |
Chemical Identifiers
| CAS Number | 59133-23-2 |
|---|---|
| SMILES | COC(=O)C1=C(NC(=C1N)C2=CC=CC=C2)C(=O)OC.Cl |
Product Overview
Pyrrole-2,3-dicarboxylic acid, 4-amino-5-phenyl-, dimethyl ester, monohydrochloride (CAS 59133-23-2), with molecular formula C14H15ClN2O4 and molecular weight 310.07 g/mol. IUPAC: dimethyl 4-amino-5-phenyl-1H-pyrrole-2,3-dicarboxylate;hydrochloride.
Chemical Property Profile of Pyrrole-2,3-dicarboxylic acid, 4-amino-5-phenyl-, dimethyl ester, monohydrochloride
Property Insights of Pyrrole-2,3-dicarboxylic acid, 4-amino-5-phenyl-, dimethyl ester, monohydrochloride
The XLogP value of 2.2589 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Pyrrole-2,3-dicarboxylic acid, 4-amino-5-phenyl-, dimethyl ester, monohydrochloride. The TPSA of 94.41 Ų falls within the moderate polarity range, balancing permeability and solubility for Pyrrole-2,3-dicarboxylic acid, 4-amino-5-phenyl-, dimethyl ester, monohydrochloride. Following Lipinski's Rule of Five, Pyrrole-2,3-dicarboxylic acid, 4-amino-5-phenyl-, dimethyl ester, monohydrochloride 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 Pyrrole-2,3-dicarboxylic acid, 4-amino-5-phenyl-, dimethyl ester, monohydrochloride?
The CAS number of Pyrrole-2,3-dicarboxylic acid, 4-amino-5-phenyl-, dimethyl ester, monohydrochloride is 59133-23-2.
What is the molecular formula of Pyrrole-2,3-dicarboxylic acid, 4-amino-5-phenyl-, dimethyl ester, monohydrochloride?
The molecular formula of Pyrrole-2,3-dicarboxylic acid, 4-amino-5-phenyl-, dimethyl ester, monohydrochloride is C14H15ClN2O4.
What is the molecular weight of Pyrrole-2,3-dicarboxylic acid, 4-amino-5-phenyl-, dimethyl ester, monohydrochloride?
The molecular weight of Pyrrole-2,3-dicarboxylic acid, 4-amino-5-phenyl-, dimethyl ester, monohydrochloride is 310.07 g/mol.
Where can I buy Pyrrole-2,3-dicarboxylic acid, 4-amino-5-phenyl-, dimethyl ester, monohydrochloride?
You can request a quote for Pyrrole-2,3-dicarboxylic acid, 4-amino-5-phenyl-, dimethyl 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-2,3-dicarboxylic acid, 4-amino-5-phenyl-, dimethyl ester, monohydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Pyrrole-2,3-dicarboxylic acid, 4-amino-5-phenyl-, dimethyl ester, monohydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.