ethyl 3-amino-4-cyano-1-methyl-1H-pyrrole-2-carboxylate
TL;DR: ethyl 3-amino-4-cyano-1-methyl-1H-pyrrole-2-carboxylate (CAS 145162-36-3) is a chemical compound with molecular formula C9H11N3O2 and molecular weight 193.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-amino-4-cyano-1-methylpyrrole-2-carboxylate
Also Known As: ethyl 3-amino-4-cyano-1-methyl-1H-pyrrole-2-carboxylate, ethyl 3-amino-4-cyano-1-methylpyrrole-2-carboxylate, 1H-Pyrrole-2-carboxylicacid,3-amino-4-cyano-1-methyl-,ethylester(9CI), Ethyl3-amino-4-cyano-1-methyl-1H-pyrrole-2-carboxylate, ETHYL 3-AMINO-4-CYANO-1-METHYL-PYRROLE-2-CARBOXYLATE
| Molecular Formula | C9H11N3O2 |
|---|---|
| Molecular Weight | 193.09 g/mol |
| LogP | 0.65568 |
| Topological Polar Surface Area | 81.04 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 193.08513 |
| Heavy Atoms | 14 |
| Complexity | 400.92496 |
Chemical Identifiers
| CAS Number | 145162-36-3 |
|---|---|
| SMILES | CCOC(=O)C1=C(C(=CN1C)C#N)N |
Product Overview
ethyl 3-amino-4-cyano-1-methyl-1H-pyrrole-2-carboxylate (CAS 145162-36-3), with molecular formula C9H11N3O2 and molecular weight 193.09 g/mol. IUPAC: ethyl 3-amino-4-cyano-1-methylpyrrole-2-carboxylate.
Chemical Property Profile of ethyl 3-amino-4-cyano-1-methyl-1H-pyrrole-2-carboxylate
Property Insights of ethyl 3-amino-4-cyano-1-methyl-1H-pyrrole-2-carboxylate
The XLogP value of 0.65568 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 3-amino-4-cyano-1-methyl-1H-pyrrole-2-carboxylate. The TPSA of 81.04 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 3-amino-4-cyano-1-methyl-1H-pyrrole-2-carboxylate. Following Lipinski's Rule of Five, ethyl 3-amino-4-cyano-1-methyl-1H-pyrrole-2-carboxylate has 1 hydrogen bond donor(s) and 4 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 ethyl 3-amino-4-cyano-1-methyl-1H-pyrrole-2-carboxylate?
The CAS number of ethyl 3-amino-4-cyano-1-methyl-1H-pyrrole-2-carboxylate is 145162-36-3.
What is the molecular formula of ethyl 3-amino-4-cyano-1-methyl-1H-pyrrole-2-carboxylate?
The molecular formula of ethyl 3-amino-4-cyano-1-methyl-1H-pyrrole-2-carboxylate is C9H11N3O2.
What is the molecular weight of ethyl 3-amino-4-cyano-1-methyl-1H-pyrrole-2-carboxylate?
The molecular weight of ethyl 3-amino-4-cyano-1-methyl-1H-pyrrole-2-carboxylate is 193.09 g/mol.
Where can I buy ethyl 3-amino-4-cyano-1-methyl-1H-pyrrole-2-carboxylate?
You can request a quote for ethyl 3-amino-4-cyano-1-methyl-1H-pyrrole-2-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 3-amino-4-cyano-1-methyl-1H-pyrrole-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 3-amino-4-cyano-1-methyl-1H-pyrrole-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.