ethyl 4-acetyl-5-(2,2-dicyanoethenyl)-3-methyl-1H-pyrrole-2-carboxylate
TL;DR: ethyl 4-acetyl-5-(2,2-dicyanoethenyl)-3-methyl-1H-pyrrole-2-carboxylate (CAS 384376-20-9) is a chemical compound with molecular formula C14H13N3O3 and molecular weight 271.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-acetyl-5-(2,2-dicyanoethenyl)-3-methyl-1H-pyrrole-2-carboxylate
Also Known As: BAS 03351584, ethyl 4-acetyl-5-(2,2-dicyanoethenyl)-3-methyl-1H-pyrrole-2-carboxylate, ethyl 4-acetyl-5-(2,2-dicyanovinyl)-3-methyl-1H-pyrrole-2-carboxylate
| Molecular Formula | C14H13N3O3 |
|---|---|
| Molecular Weight | 271.10 g/mol |
| LogP | 2.13298 |
| Topological Polar Surface Area | 106.74 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 271.0957 |
| Heavy Atoms | 20 |
| Complexity | 653.0618 |
Chemical Identifiers
| CAS Number | 384376-20-9 |
|---|---|
| SMILES | CCOC(=O)C1=C(C(=C(N1)C=C(C#N)C#N)C(=O)C)C |
Product Overview
ethyl 4-acetyl-5-(2,2-dicyanoethenyl)-3-methyl-1H-pyrrole-2-carboxylate (CAS 384376-20-9), with molecular formula C14H13N3O3 and molecular weight 271.10 g/mol. IUPAC: ethyl 4-acetyl-5-(2,2-dicyanoethenyl)-3-methyl-1H-pyrrole-2-carboxylate.
Chemical Property Profile of ethyl 4-acetyl-5-(2,2-dicyanoethenyl)-3-methyl-1H-pyrrole-2-carboxylate
Property Insights of ethyl 4-acetyl-5-(2,2-dicyanoethenyl)-3-methyl-1H-pyrrole-2-carboxylate
The XLogP value of 2.13298 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 4-acetyl-5-(2,2-dicyanoethenyl)-3-methyl-1H-pyrrole-2-carboxylate. The TPSA of 106.74 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 4-acetyl-5-(2,2-dicyanoethenyl)-3-methyl-1H-pyrrole-2-carboxylate. Following Lipinski's Rule of Five, ethyl 4-acetyl-5-(2,2-dicyanoethenyl)-3-methyl-1H-pyrrole-2-carboxylate 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 ethyl 4-acetyl-5-(2,2-dicyanoethenyl)-3-methyl-1H-pyrrole-2-carboxylate?
The CAS number of ethyl 4-acetyl-5-(2,2-dicyanoethenyl)-3-methyl-1H-pyrrole-2-carboxylate is 384376-20-9.
What is the molecular formula of ethyl 4-acetyl-5-(2,2-dicyanoethenyl)-3-methyl-1H-pyrrole-2-carboxylate?
The molecular formula of ethyl 4-acetyl-5-(2,2-dicyanoethenyl)-3-methyl-1H-pyrrole-2-carboxylate is C14H13N3O3.
What is the molecular weight of ethyl 4-acetyl-5-(2,2-dicyanoethenyl)-3-methyl-1H-pyrrole-2-carboxylate?
The molecular weight of ethyl 4-acetyl-5-(2,2-dicyanoethenyl)-3-methyl-1H-pyrrole-2-carboxylate is 271.10 g/mol.
Where can I buy ethyl 4-acetyl-5-(2,2-dicyanoethenyl)-3-methyl-1H-pyrrole-2-carboxylate?
You can request a quote for ethyl 4-acetyl-5-(2,2-dicyanoethenyl)-3-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 4-acetyl-5-(2,2-dicyanoethenyl)-3-methyl-1H-pyrrole-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 4-acetyl-5-(2,2-dicyanoethenyl)-3-methyl-1H-pyrrole-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.