1-Amino-2,5-dimethyl-1H-pyrrole-3,4-dicarboxylic acid diethyl ester
TL;DR: 1-Amino-2,5-dimethyl-1H-pyrrole-3,4-dicarboxylic acid diethyl ester (CAS 4815-44-5) is a chemical compound with molecular formula C12H18N2O4 and molecular weight 254.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 1-amino-2,5-dimethylpyrrole-3,4-dicarboxylate
Also Known As: 3 5-DIIODOTHYROPROPIONIC ACID, 1-Amino-2,5-dimethyl-1H-pyrrole-3,4-dicarboxylic acid diethyl ester, diethyl 1-amino-2,5-dimethylpyrrole-3,4-dicarboxylate, 1-Amino-2,5-dimethyl-1H-pyrrole-3,4-dicarboxylicacid diethyl ester, Diethyl 1-amino-2,5-dimethyl-1H-pyrrole-3,4-dicarboxylate
| Molecular Formula | C12H18N2O4 |
|---|---|
| Molecular Weight | 254.13 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 83.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 254.12666 |
| Heavy Atoms | 18 |
| Complexity | 291.0 |
Chemical Identifiers
| CAS Number | 4815-44-5 |
|---|---|
| SMILES | CCOC(=O)C1=C(N(C(=C1C(=O)OCC)C)N)C |
| InChIKey | WTTQLASUDGMQIK-UHFFFAOYSA-N |
Product Overview
1-Amino-2,5-dimethyl-1H-pyrrole-3,4-dicarboxylic acid diethyl ester (CAS 4815-44-5), with molecular formula C12H18N2O4 and molecular weight 254.13 g/mol. IUPAC: diethyl 1-amino-2,5-dimethylpyrrole-3,4-dicarboxylate.
Chemical Property Profile of 1-Amino-2,5-dimethyl-1H-pyrrole-3,4-dicarboxylic acid diethyl ester
Property Insights of 1-Amino-2,5-dimethyl-1H-pyrrole-3,4-dicarboxylic acid diethyl ester
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Amino-2,5-dimethyl-1H-pyrrole-3,4-dicarboxylic acid diethyl ester. The TPSA of 83.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Amino-2,5-dimethyl-1H-pyrrole-3,4-dicarboxylic acid diethyl ester. Following Lipinski's Rule of Five, 1-Amino-2,5-dimethyl-1H-pyrrole-3,4-dicarboxylic acid diethyl ester has 1 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 1-Amino-2,5-dimethyl-1H-pyrrole-3,4-dicarboxylic acid diethyl ester?
The CAS number of 1-Amino-2,5-dimethyl-1H-pyrrole-3,4-dicarboxylic acid diethyl ester is 4815-44-5.
What is the molecular formula of 1-Amino-2,5-dimethyl-1H-pyrrole-3,4-dicarboxylic acid diethyl ester?
The molecular formula of 1-Amino-2,5-dimethyl-1H-pyrrole-3,4-dicarboxylic acid diethyl ester is C12H18N2O4.
What is the molecular weight of 1-Amino-2,5-dimethyl-1H-pyrrole-3,4-dicarboxylic acid diethyl ester?
The molecular weight of 1-Amino-2,5-dimethyl-1H-pyrrole-3,4-dicarboxylic acid diethyl ester is 254.13 g/mol.
Where can I buy 1-Amino-2,5-dimethyl-1H-pyrrole-3,4-dicarboxylic acid diethyl ester?
You can request a quote for 1-Amino-2,5-dimethyl-1H-pyrrole-3,4-dicarboxylic acid diethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Amino-2,5-dimethyl-1H-pyrrole-3,4-dicarboxylic acid diethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 1-Amino-2,5-dimethyl-1H-pyrrole-3,4-dicarboxylic acid diethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.