![[(cyanomethyl)(phenyl)carbamoyl]methyl 4-acetyl-3,5-dimethyl-1H-pyrrole-2-carboxylate structure](/static/products/874/874971-10-5.png)
[(cyanomethyl)(phenyl)carbamoyl]methyl 4-acetyl-3,5-dimethyl-1H-pyrrole-2-carboxylate
TL;DR: [(cyanomethyl)(phenyl)carbamoyl]methyl 4-acetyl-3,5-dimethyl-1H-pyrrole-2-carboxylate (CAS 874971-10-5) is a chemical compound with molecular formula C19H19N3O4 and molecular weight 353.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-[N-(cyanomethyl)anilino]-2-oxoethyl] 4-acetyl-3,5-dimethyl-1H-pyrrole-2-carboxylate
Also Known As: [(cyanomethyl)(phenyl)carbamoyl]methyl 4-acetyl-3,5-dimethyl-1H-pyrrole-2-carboxylate|[2-[N-(cyanomethyl)anilino]-2-oxoethyl] 4-acetyl-3,5-dimethyl-1H-pyrrole-2-carboxylate|EN300-26681204
| Molecular Formula | C19H19N3O4 |
|---|---|
| Molecular Weight | 353.14 g/mol |
| LogP | 2.54772 |
| Topological Polar Surface Area | 103.26 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 353.13754 |
| Heavy Atoms | 26 |
| Complexity | 878.17944 |
Chemical Identifiers
| CAS Number | 874971-10-5 |
|---|---|
| SMILES | CC1=C(NC(=C1C(=O)C)C)C(=O)OCC(=O)N(CC#N)C2=CC=CC=C2 |
Product Overview
[(cyanomethyl)(phenyl)carbamoyl]methyl 4-acetyl-3,5-dimethyl-1H-pyrrole-2-carboxylate (CAS 874971-10-5), with molecular formula C19H19N3O4 and molecular weight 353.14 g/mol. IUPAC: [2-[N-(cyanomethyl)anilino]-2-oxoethyl] 4-acetyl-3,5-dimethyl-1H-pyrrole-2-carboxylate.
Chemical Property Profile of [(cyanomethyl)(phenyl)carbamoyl]methyl 4-acetyl-3,5-dimethyl-1H-pyrrole-2-carboxylate
Property Insights of [(cyanomethyl)(phenyl)carbamoyl]methyl 4-acetyl-3,5-dimethyl-1H-pyrrole-2-carboxylate
The XLogP value of 2.54772 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [(cyanomethyl)(phenyl)carbamoyl]methyl 4-acetyl-3,5-dimethyl-1H-pyrrole-2-carboxylate. The TPSA of 103.26 Ų falls within the moderate polarity range, balancing permeability and solubility for [(cyanomethyl)(phenyl)carbamoyl]methyl 4-acetyl-3,5-dimethyl-1H-pyrrole-2-carboxylate. Following Lipinski's Rule of Five, [(cyanomethyl)(phenyl)carbamoyl]methyl 4-acetyl-3,5-dimethyl-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 [(cyanomethyl)(phenyl)carbamoyl]methyl 4-acetyl-3,5-dimethyl-1H-pyrrole-2-carboxylate?
The CAS number of [(cyanomethyl)(phenyl)carbamoyl]methyl 4-acetyl-3,5-dimethyl-1H-pyrrole-2-carboxylate is 874971-10-5.
What is the molecular formula of [(cyanomethyl)(phenyl)carbamoyl]methyl 4-acetyl-3,5-dimethyl-1H-pyrrole-2-carboxylate?
The molecular formula of [(cyanomethyl)(phenyl)carbamoyl]methyl 4-acetyl-3,5-dimethyl-1H-pyrrole-2-carboxylate is C19H19N3O4.
What is the molecular weight of [(cyanomethyl)(phenyl)carbamoyl]methyl 4-acetyl-3,5-dimethyl-1H-pyrrole-2-carboxylate?
The molecular weight of [(cyanomethyl)(phenyl)carbamoyl]methyl 4-acetyl-3,5-dimethyl-1H-pyrrole-2-carboxylate is 353.14 g/mol.
Where can I buy [(cyanomethyl)(phenyl)carbamoyl]methyl 4-acetyl-3,5-dimethyl-1H-pyrrole-2-carboxylate?
You can request a quote for [(cyanomethyl)(phenyl)carbamoyl]methyl 4-acetyl-3,5-dimethyl-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 [(cyanomethyl)(phenyl)carbamoyl]methyl 4-acetyl-3,5-dimethyl-1H-pyrrole-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for [(cyanomethyl)(phenyl)carbamoyl]methyl 4-acetyl-3,5-dimethyl-1H-pyrrole-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.