![ethyl 5-[(4-bromophenyl)carbamoylamino]-2,4-dimethyl-1H-pyrrole-3-carboxylate structure](/static/products/865/865614-92-2.png)
ethyl 5-[(4-bromophenyl)carbamoylamino]-2,4-dimethyl-1H-pyrrole-3-carboxylate
TL;DR: ethyl 5-[(4-bromophenyl)carbamoylamino]-2,4-dimethyl-1H-pyrrole-3-carboxylate (CAS 865614-92-2) is a chemical compound with molecular formula C16H18BrN3O3 and molecular weight 379.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 5-[(4-bromophenyl)carbamoylamino]-2,4-dimethyl-1H-pyrrole-3-carboxylate
Also Known As: ethyl 5-{[(4-bromophenyl)carbamoyl]amino}-2,4-dimethyl-1H-pyrrole-3-carboxylate, F1583-0002, ethyl 5-(3-(4-bromophenyl)ureido)-2,4-dimethyl-1H-pyrrole-3-carboxylate, ethyl 5-[(4-bromophenyl)carbamoylamino]-2,4-dimethyl-1H-pyrrole-3-carboxylate
| Molecular Formula | C16H18BrN3O3 |
|---|---|
| Molecular Weight | 379.05 g/mol |
| LogP | 4.21474 |
| Topological Polar Surface Area | 83.22 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 379.05316 |
| Heavy Atoms | 23 |
| Complexity | 722.9169 |
Chemical Identifiers
| CAS Number | 865614-92-2 |
|---|---|
| SMILES | CCOC(=O)C1=C(NC(=C1C)NC(=O)NC2=CC=C(C=C2)Br)C |
Product Overview
ethyl 5-[(4-bromophenyl)carbamoylamino]-2,4-dimethyl-1H-pyrrole-3-carboxylate (CAS 865614-92-2), with molecular formula C16H18BrN3O3 and molecular weight 379.05 g/mol. IUPAC: ethyl 5-[(4-bromophenyl)carbamoylamino]-2,4-dimethyl-1H-pyrrole-3-carboxylate.
Chemical Property Profile of ethyl 5-[(4-bromophenyl)carbamoylamino]-2,4-dimethyl-1H-pyrrole-3-carboxylate
Property Insights of ethyl 5-[(4-bromophenyl)carbamoylamino]-2,4-dimethyl-1H-pyrrole-3-carboxylate
The XLogP value of 4.21474 indicates that ethyl 5-[(4-bromophenyl)carbamoylamino]-2,4-dimethyl-1H-pyrrole-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.22 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 5-[(4-bromophenyl)carbamoylamino]-2,4-dimethyl-1H-pyrrole-3-carboxylate. Following Lipinski's Rule of Five, ethyl 5-[(4-bromophenyl)carbamoylamino]-2,4-dimethyl-1H-pyrrole-3-carboxylate has 3 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 5-[(4-bromophenyl)carbamoylamino]-2,4-dimethyl-1H-pyrrole-3-carboxylate?
The CAS number of ethyl 5-[(4-bromophenyl)carbamoylamino]-2,4-dimethyl-1H-pyrrole-3-carboxylate is 865614-92-2.
What is the molecular formula of ethyl 5-[(4-bromophenyl)carbamoylamino]-2,4-dimethyl-1H-pyrrole-3-carboxylate?
The molecular formula of ethyl 5-[(4-bromophenyl)carbamoylamino]-2,4-dimethyl-1H-pyrrole-3-carboxylate is C16H18BrN3O3.
What is the molecular weight of ethyl 5-[(4-bromophenyl)carbamoylamino]-2,4-dimethyl-1H-pyrrole-3-carboxylate?
The molecular weight of ethyl 5-[(4-bromophenyl)carbamoylamino]-2,4-dimethyl-1H-pyrrole-3-carboxylate is 379.05 g/mol.
Where can I buy ethyl 5-[(4-bromophenyl)carbamoylamino]-2,4-dimethyl-1H-pyrrole-3-carboxylate?
You can request a quote for ethyl 5-[(4-bromophenyl)carbamoylamino]-2,4-dimethyl-1H-pyrrole-3-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 5-[(4-bromophenyl)carbamoylamino]-2,4-dimethyl-1H-pyrrole-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 5-[(4-bromophenyl)carbamoylamino]-2,4-dimethyl-1H-pyrrole-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.