2-Amino-3,4-dicarbethoxy-1-methylpyrrole
TL;DR: 2-Amino-3,4-dicarbethoxy-1-methylpyrrole (CAS 77574-47-1) is a chemical compound with molecular formula C11H16N2O4 and molecular weight 240.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 2-amino-1-methylpyrrole-3,4-dicarboxylate
Also Known As: 2-Amino-3,4-dicarbethoxy-1-methylpyrrole, diethyl 2-amino-1-methylpyrrole-3,4-dicarboxylate, Diethyl 2-amino-1-methyl-1H-pyrrole-3,4-dicarboxylate, Diethyl 2-amino-1-methyl-1H-pyrrole-3,4-dicarboxylate #
| Molecular Formula | C11H16N2O4 |
|---|---|
| Molecular Weight | 240.11 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 83.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 240.11101 |
| Heavy Atoms | 17 |
| Complexity | 295.0 |
Chemical Identifiers
| CAS Number | 77574-47-1 |
|---|---|
| SMILES | CCOC(=O)C1=CN(C(=C1C(=O)OCC)N)C |
| InChIKey | KAVHVKUNMLVBEC-UHFFFAOYSA-N |
Product Overview
2-Amino-3,4-dicarbethoxy-1-methylpyrrole (CAS 77574-47-1), with molecular formula C11H16N2O4 and molecular weight 240.11 g/mol. IUPAC: diethyl 2-amino-1-methylpyrrole-3,4-dicarboxylate.
Chemical Property Profile of 2-Amino-3,4-dicarbethoxy-1-methylpyrrole
Property Insights of 2-Amino-3,4-dicarbethoxy-1-methylpyrrole
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Amino-3,4-dicarbethoxy-1-methylpyrrole. The TPSA of 83.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Amino-3,4-dicarbethoxy-1-methylpyrrole. Following Lipinski's Rule of Five, 2-Amino-3,4-dicarbethoxy-1-methylpyrrole 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 2-Amino-3,4-dicarbethoxy-1-methylpyrrole?
The CAS number of 2-Amino-3,4-dicarbethoxy-1-methylpyrrole is 77574-47-1.
What is the molecular formula of 2-Amino-3,4-dicarbethoxy-1-methylpyrrole?
The molecular formula of 2-Amino-3,4-dicarbethoxy-1-methylpyrrole is C11H16N2O4.
What is the molecular weight of 2-Amino-3,4-dicarbethoxy-1-methylpyrrole?
The molecular weight of 2-Amino-3,4-dicarbethoxy-1-methylpyrrole is 240.11 g/mol.
Where can I buy 2-Amino-3,4-dicarbethoxy-1-methylpyrrole?
You can request a quote for 2-Amino-3,4-dicarbethoxy-1-methylpyrrole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Amino-3,4-dicarbethoxy-1-methylpyrrole?
Yes, KEHONG BIO provides custom synthesis services for 2-Amino-3,4-dicarbethoxy-1-methylpyrrole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.