ethyl 4-((3,4-difluorophenyl)carbamoyl)-1,3,5-trimethyl-1H-pyrrole-2-carboxylate
TL;DR: ethyl 4-((3,4-difluorophenyl)carbamoyl)-1,3,5-trimethyl-1H-pyrrole-2-carboxylate (CAS 847463-32-5) is a chemical compound with molecular formula C17H18F2N2O3 and molecular weight 336.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[(3,4-difluorophenyl)carbamoyl]-1,3,5-trimethylpyrrole-2-carboxylate
Also Known As: F0672-0410, ethyl 4-((3,4-difluorophenyl)carbamoyl)-1,3,5-trimethyl-1H-pyrrole-2-carboxylate, ethyl 4-[(3,4-difluorophenyl)carbamoyl]-1,3,5-trimethylpyrrole-2-carboxylate, ETHYL 4-[(3,4-DIFLUOROPHENYL)CARBAMOYL]-1,3,5-TRIMETHYL-1H-PYRROLE-2-CARBOXYLATE, Ethyl 4-[(3,4-difluorophenyl)carbamoyl]-1,3,5-trimethyl-pyrrole-2-carboxylate
| Molecular Formula | C17H18F2N2O3 |
|---|---|
| Molecular Weight | 336.13 g/mol |
| LogP | 3.34914 |
| Topological Polar Surface Area | 60.33 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 336.12854 |
| Heavy Atoms | 24 |
| Complexity | 812.65234 |
Chemical Identifiers
| CAS Number | 847463-32-5 |
|---|---|
| SMILES | CCOC(=O)C1=C(C(=C(N1C)C)C(=O)NC2=CC(=C(C=C2)F)F)C |
Product Overview
ethyl 4-((3,4-difluorophenyl)carbamoyl)-1,3,5-trimethyl-1H-pyrrole-2-carboxylate (CAS 847463-32-5), with molecular formula C17H18F2N2O3 and molecular weight 336.13 g/mol. IUPAC: ethyl 4-[(3,4-difluorophenyl)carbamoyl]-1,3,5-trimethylpyrrole-2-carboxylate.
Chemical Property Profile of ethyl 4-((3,4-difluorophenyl)carbamoyl)-1,3,5-trimethyl-1H-pyrrole-2-carboxylate
Property Insights of ethyl 4-((3,4-difluorophenyl)carbamoyl)-1,3,5-trimethyl-1H-pyrrole-2-carboxylate
The XLogP value of 3.34914 indicates that ethyl 4-((3,4-difluorophenyl)carbamoyl)-1,3,5-trimethyl-1H-pyrrole-2-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 60.33 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 4-((3,4-difluorophenyl)carbamoyl)-1,3,5-trimethyl-1H-pyrrole-2-carboxylate. Following Lipinski's Rule of Five, ethyl 4-((3,4-difluorophenyl)carbamoyl)-1,3,5-trimethyl-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-((3,4-difluorophenyl)carbamoyl)-1,3,5-trimethyl-1H-pyrrole-2-carboxylate?
The CAS number of ethyl 4-((3,4-difluorophenyl)carbamoyl)-1,3,5-trimethyl-1H-pyrrole-2-carboxylate is 847463-32-5.
What is the molecular formula of ethyl 4-((3,4-difluorophenyl)carbamoyl)-1,3,5-trimethyl-1H-pyrrole-2-carboxylate?
The molecular formula of ethyl 4-((3,4-difluorophenyl)carbamoyl)-1,3,5-trimethyl-1H-pyrrole-2-carboxylate is C17H18F2N2O3.
What is the molecular weight of ethyl 4-((3,4-difluorophenyl)carbamoyl)-1,3,5-trimethyl-1H-pyrrole-2-carboxylate?
The molecular weight of ethyl 4-((3,4-difluorophenyl)carbamoyl)-1,3,5-trimethyl-1H-pyrrole-2-carboxylate is 336.13 g/mol.
Where can I buy ethyl 4-((3,4-difluorophenyl)carbamoyl)-1,3,5-trimethyl-1H-pyrrole-2-carboxylate?
You can request a quote for ethyl 4-((3,4-difluorophenyl)carbamoyl)-1,3,5-trimethyl-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-((3,4-difluorophenyl)carbamoyl)-1,3,5-trimethyl-1H-pyrrole-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 4-((3,4-difluorophenyl)carbamoyl)-1,3,5-trimethyl-1H-pyrrole-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.