ethyl 4-amino-2-methyl-5-phenyl-1H-pyrrole-3-carboxylate
TL;DR: ethyl 4-amino-2-methyl-5-phenyl-1H-pyrrole-3-carboxylate (CAS 59133-02-7) is a chemical compound with molecular formula C14H16N2O2 and molecular weight 244.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-amino-2-methyl-5-phenyl-1H-pyrrole-3-carboxylate
Also Known As: J3.698.502J, Ethyl 4-amino-2-methyl-5-phenyl-1H-pyrrole-3-carboxylate, ethyl 4-amino-2-methyl-5-phenylpyrrol-3-yl-carboxylate, 2-Methyl-4-amino-5-phenyl-1H-pyrrole-3-carboxylic acid ethyl ester, InChI=1/C14H16N2O2/c1-3-18-14(17)11-9(2)16-13(12(11)15)10-7-5-4-6-8-10/h4-8,16H,3,15H2,1-2H
| Molecular Formula | C14H16N2O2 |
|---|---|
| Molecular Weight | 244.12 g/mol |
| LogP | 2.74902 |
| Topological Polar Surface Area | 68.11 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 244.12119 |
| Heavy Atoms | 18 |
| Complexity | 558.67303 |
Chemical Identifiers
| CAS Number | 59133-02-7 |
|---|---|
| SMILES | CCOC(=O)C1=C(NC(=C1N)C2=CC=CC=C2)C |
Product Overview
ethyl 4-amino-2-methyl-5-phenyl-1H-pyrrole-3-carboxylate (CAS 59133-02-7), with molecular formula C14H16N2O2 and molecular weight 244.12 g/mol. IUPAC: ethyl 4-amino-2-methyl-5-phenyl-1H-pyrrole-3-carboxylate.
Chemical Property Profile of ethyl 4-amino-2-methyl-5-phenyl-1H-pyrrole-3-carboxylate
Property Insights of ethyl 4-amino-2-methyl-5-phenyl-1H-pyrrole-3-carboxylate
The XLogP value of 2.74902 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 4-amino-2-methyl-5-phenyl-1H-pyrrole-3-carboxylate. The TPSA of 68.11 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 4-amino-2-methyl-5-phenyl-1H-pyrrole-3-carboxylate. Following Lipinski's Rule of Five, ethyl 4-amino-2-methyl-5-phenyl-1H-pyrrole-3-carboxylate 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 ethyl 4-amino-2-methyl-5-phenyl-1H-pyrrole-3-carboxylate?
The CAS number of ethyl 4-amino-2-methyl-5-phenyl-1H-pyrrole-3-carboxylate is 59133-02-7.
What is the molecular formula of ethyl 4-amino-2-methyl-5-phenyl-1H-pyrrole-3-carboxylate?
The molecular formula of ethyl 4-amino-2-methyl-5-phenyl-1H-pyrrole-3-carboxylate is C14H16N2O2.
What is the molecular weight of ethyl 4-amino-2-methyl-5-phenyl-1H-pyrrole-3-carboxylate?
The molecular weight of ethyl 4-amino-2-methyl-5-phenyl-1H-pyrrole-3-carboxylate is 244.12 g/mol.
Where can I buy ethyl 4-amino-2-methyl-5-phenyl-1H-pyrrole-3-carboxylate?
You can request a quote for ethyl 4-amino-2-methyl-5-phenyl-1H-pyrrole-3-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 4-amino-2-methyl-5-phenyl-1H-pyrrole-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 4-amino-2-methyl-5-phenyl-1H-pyrrole-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.