Ethyl 3-amino-1-(4-bromophenyl)-4-cyano-5-methyl-1H-pyrrole-2-carboxylate
TL;DR: Ethyl 3-amino-1-(4-bromophenyl)-4-cyano-5-methyl-1H-pyrrole-2-carboxylate (CAS 5262-31-7) is a chemical compound with molecular formula C15H14BrN3O2 and molecular weight 347.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-amino-1-(4-bromophenyl)-4-cyano-5-methylpyrrole-2-carboxylate
Also Known As: Ethyl 3-amino-1-(4-bromophenyl)-4-cyano-5-methyl-1H-pyrrole-2-carboxylate, BIM-0016125.P001, AH-262/36795027, ethyl 3-amino-1-(4-bromophenyl)-4-cyano-5-methylpyrrole-2-carboxylate
| Molecular Formula | C15H14BrN3O2 |
|---|---|
| Molecular Weight | 347.03 g/mol |
| LogP | 3.1788 |
| Topological Polar Surface Area | 81.04 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 347.02695 |
| Heavy Atoms | 21 |
| Complexity | 726.8575 |
Chemical Identifiers
| CAS Number | 5262-31-7 |
|---|---|
| SMILES | CCOC(=O)C1=C(C(=C(N1C2=CC=C(C=C2)Br)C)C#N)N |
Product Overview
Ethyl 3-amino-1-(4-bromophenyl)-4-cyano-5-methyl-1H-pyrrole-2-carboxylate (CAS 5262-31-7), with molecular formula C15H14BrN3O2 and molecular weight 347.03 g/mol. IUPAC: ethyl 3-amino-1-(4-bromophenyl)-4-cyano-5-methylpyrrole-2-carboxylate.
Chemical Property Profile of Ethyl 3-amino-1-(4-bromophenyl)-4-cyano-5-methyl-1H-pyrrole-2-carboxylate
Property Insights of Ethyl 3-amino-1-(4-bromophenyl)-4-cyano-5-methyl-1H-pyrrole-2-carboxylate
The XLogP value of 3.1788 indicates that Ethyl 3-amino-1-(4-bromophenyl)-4-cyano-5-methyl-1H-pyrrole-2-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.04 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 3-amino-1-(4-bromophenyl)-4-cyano-5-methyl-1H-pyrrole-2-carboxylate. Following Lipinski's Rule of Five, Ethyl 3-amino-1-(4-bromophenyl)-4-cyano-5-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-1-(4-bromophenyl)-4-cyano-5-methyl-1H-pyrrole-2-carboxylate?
The CAS number of Ethyl 3-amino-1-(4-bromophenyl)-4-cyano-5-methyl-1H-pyrrole-2-carboxylate is 5262-31-7.
What is the molecular formula of Ethyl 3-amino-1-(4-bromophenyl)-4-cyano-5-methyl-1H-pyrrole-2-carboxylate?
The molecular formula of Ethyl 3-amino-1-(4-bromophenyl)-4-cyano-5-methyl-1H-pyrrole-2-carboxylate is C15H14BrN3O2.
What is the molecular weight of Ethyl 3-amino-1-(4-bromophenyl)-4-cyano-5-methyl-1H-pyrrole-2-carboxylate?
The molecular weight of Ethyl 3-amino-1-(4-bromophenyl)-4-cyano-5-methyl-1H-pyrrole-2-carboxylate is 347.03 g/mol.
Where can I buy Ethyl 3-amino-1-(4-bromophenyl)-4-cyano-5-methyl-1H-pyrrole-2-carboxylate?
You can request a quote for Ethyl 3-amino-1-(4-bromophenyl)-4-cyano-5-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-1-(4-bromophenyl)-4-cyano-5-methyl-1H-pyrrole-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 3-amino-1-(4-bromophenyl)-4-cyano-5-methyl-1H-pyrrole-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.