ethyl 4-(1,3-benzodioxol-5-ylmethylcarbamoyl)-1,3,5-trimethylpyrrole-2-carboxylate
TL;DR: ethyl 4-(1,3-benzodioxol-5-ylmethylcarbamoyl)-1,3,5-trimethylpyrrole-2-carboxylate (CAS 847462-84-4) is a chemical compound with molecular formula C19H22N2O5 and molecular weight 358.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-(1,3-benzodioxol-5-ylmethylcarbamoyl)-1,3,5-trimethylpyrrole-2-carboxylate
Also Known As: ethyl 4-(1,3-benzodioxol-5-ylmethylcarbamoyl)-1,3,5-trimethylpyrrole-2-carboxylate, ethyl 4-[(1,3-benzodioxol-5-ylmethyl)carbamoyl]-1,3,5-trimethyl-1H-pyrrole-2-carboxylate, ethyl 4-((benzo[d][1,3]dioxol-5-ylmethyl)carbamoyl)-1,3,5-trimethyl-1H-pyrrole-2-carboxylate, ethyl 4-{[(1,3-benzodioxol-5-ylmethyl)amino]carbonyl}-1,3,5-trimethyl-1H-pyrrole-2-carboxylate
| Molecular Formula | C19H22N2O5 |
|---|---|
| Molecular Weight | 358.15 g/mol |
| LogP | 2.47734 |
| Topological Polar Surface Area | 78.79 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 358.15286 |
| Heavy Atoms | 26 |
| Complexity | 869.2998 |
Chemical Identifiers
| CAS Number | 847462-84-4 |
|---|---|
| SMILES | CCOC(=O)C1=C(C(=C(N1C)C)C(=O)NCC2=CC3=C(C=C2)OCO3)C |
Product Overview
ethyl 4-(1,3-benzodioxol-5-ylmethylcarbamoyl)-1,3,5-trimethylpyrrole-2-carboxylate (CAS 847462-84-4), with molecular formula C19H22N2O5 and molecular weight 358.15 g/mol. IUPAC: ethyl 4-(1,3-benzodioxol-5-ylmethylcarbamoyl)-1,3,5-trimethylpyrrole-2-carboxylate.
Chemical Property Profile of ethyl 4-(1,3-benzodioxol-5-ylmethylcarbamoyl)-1,3,5-trimethylpyrrole-2-carboxylate
Property Insights of ethyl 4-(1,3-benzodioxol-5-ylmethylcarbamoyl)-1,3,5-trimethylpyrrole-2-carboxylate
The XLogP value of 2.47734 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 4-(1,3-benzodioxol-5-ylmethylcarbamoyl)-1,3,5-trimethylpyrrole-2-carboxylate. The TPSA of 78.79 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 4-(1,3-benzodioxol-5-ylmethylcarbamoyl)-1,3,5-trimethylpyrrole-2-carboxylate. Following Lipinski's Rule of Five, ethyl 4-(1,3-benzodioxol-5-ylmethylcarbamoyl)-1,3,5-trimethylpyrrole-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-(1,3-benzodioxol-5-ylmethylcarbamoyl)-1,3,5-trimethylpyrrole-2-carboxylate?
The CAS number of ethyl 4-(1,3-benzodioxol-5-ylmethylcarbamoyl)-1,3,5-trimethylpyrrole-2-carboxylate is 847462-84-4.
What is the molecular formula of ethyl 4-(1,3-benzodioxol-5-ylmethylcarbamoyl)-1,3,5-trimethylpyrrole-2-carboxylate?
The molecular formula of ethyl 4-(1,3-benzodioxol-5-ylmethylcarbamoyl)-1,3,5-trimethylpyrrole-2-carboxylate is C19H22N2O5.
What is the molecular weight of ethyl 4-(1,3-benzodioxol-5-ylmethylcarbamoyl)-1,3,5-trimethylpyrrole-2-carboxylate?
The molecular weight of ethyl 4-(1,3-benzodioxol-5-ylmethylcarbamoyl)-1,3,5-trimethylpyrrole-2-carboxylate is 358.15 g/mol.
Where can I buy ethyl 4-(1,3-benzodioxol-5-ylmethylcarbamoyl)-1,3,5-trimethylpyrrole-2-carboxylate?
You can request a quote for ethyl 4-(1,3-benzodioxol-5-ylmethylcarbamoyl)-1,3,5-trimethylpyrrole-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-(1,3-benzodioxol-5-ylmethylcarbamoyl)-1,3,5-trimethylpyrrole-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 4-(1,3-benzodioxol-5-ylmethylcarbamoyl)-1,3,5-trimethylpyrrole-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.