![ethyl 4-[benzyl(methyl)carbamoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate structure](/static/products/847/847412-01-5.png)
ethyl 4-[benzyl(methyl)carbamoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate
TL;DR: ethyl 4-[benzyl(methyl)carbamoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate (CAS 847412-01-5) is a chemical compound with molecular formula C18H22N2O3 and molecular weight 314.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[benzyl(methyl)carbamoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate
Also Known As: ethyl 4-[benzyl(methyl)carbamoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate, ethyl 4-{[benzyl(methyl)amino]carbonyl}-3,5-dimethyl-1H-pyrrole-2-carboxylate, ethyl 4-(benzyl(methyl)carbamoyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate, 4-[benzyl(methyl)carbamoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylic acid ethyl ester, ethyl 3,5-dimethyl-4-[methyl-(phenylmethyl)carbamoyl]-1H-pyrrole-2-carboxylate
| Molecular Formula | C18H22N2O3 |
|---|---|
| Molecular Weight | 314.16 g/mol |
| LogP | 3.08044 |
| Topological Polar Surface Area | 62.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 314.16306 |
| Heavy Atoms | 23 |
| Complexity | 704.5568 |
Chemical Identifiers
| CAS Number | 847412-01-5 |
|---|---|
| SMILES | CCOC(=O)C1=C(C(=C(N1)C)C(=O)N(C)CC2=CC=CC=C2)C |
Product Overview
ethyl 4-[benzyl(methyl)carbamoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate (CAS 847412-01-5), with molecular formula C18H22N2O3 and molecular weight 314.16 g/mol. IUPAC: ethyl 4-[benzyl(methyl)carbamoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate.
Chemical Property Profile of ethyl 4-[benzyl(methyl)carbamoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate
Property Insights of ethyl 4-[benzyl(methyl)carbamoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate
The XLogP value of 3.08044 indicates that ethyl 4-[benzyl(methyl)carbamoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 62.4 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 4-[benzyl(methyl)carbamoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate. Following Lipinski's Rule of Five, ethyl 4-[benzyl(methyl)carbamoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate has 1 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-[benzyl(methyl)carbamoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate?
The CAS number of ethyl 4-[benzyl(methyl)carbamoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate is 847412-01-5.
What is the molecular formula of ethyl 4-[benzyl(methyl)carbamoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate?
The molecular formula of ethyl 4-[benzyl(methyl)carbamoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate is C18H22N2O3.
What is the molecular weight of ethyl 4-[benzyl(methyl)carbamoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate?
The molecular weight of ethyl 4-[benzyl(methyl)carbamoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate is 314.16 g/mol.
Where can I buy ethyl 4-[benzyl(methyl)carbamoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate?
You can request a quote for ethyl 4-[benzyl(methyl)carbamoyl]-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 ethyl 4-[benzyl(methyl)carbamoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 4-[benzyl(methyl)carbamoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.