ChemDiv1_025543
TL;DR: ChemDiv1_025543 (CAS 223392-76-5) is a chemical compound with molecular formula C20H18Br2N2O3 and molecular weight 491.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-(4-bromoanilino)-1-(4-bromophenyl)-2-methyl-5-oxopyrrole-2-carboxylate
Also Known As: ChemDiv1_025543, BAS 00552768, J1.065.031C, A1686/0071975, ethyl 1-(4-bromophenyl)-4-[(4-bromophenyl)amino]-2-methyl-5-oxo-2,5-dihydro-1H-pyrrole-2-carboxylate
| Molecular Formula | C20H18Br2N2O3 |
|---|---|
| Molecular Weight | 491.97 g/mol |
| LogP | 4.876 |
| Topological Polar Surface Area | 58.64 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 491.9684 |
| Heavy Atoms | 27 |
| Complexity | 894.44775 |
Chemical Identifiers
| CAS Number | 223392-76-5 |
|---|---|
| SMILES | CCOC(=O)C1(C=C(C(=O)N1C2=CC=C(C=C2)Br)NC3=CC=C(C=C3)Br)C |
Product Overview
ChemDiv1_025543 (CAS 223392-76-5), with molecular formula C20H18Br2N2O3 and molecular weight 491.97 g/mol. IUPAC: ethyl 4-(4-bromoanilino)-1-(4-bromophenyl)-2-methyl-5-oxopyrrole-2-carboxylate.
Chemical Property Profile of ChemDiv1_025543
Property Insights of ChemDiv1_025543
The XLogP value of 4.876 indicates that ChemDiv1_025543 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 58.64 Ų, ChemDiv1_025543 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ChemDiv1_025543 has 1 hydrogen bond donor(s) and 4 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 ChemDiv1_025543?
The CAS number of ChemDiv1_025543 is 223392-76-5.
What is the molecular formula of ChemDiv1_025543?
The molecular formula of ChemDiv1_025543 is C20H18Br2N2O3.
What is the molecular weight of ChemDiv1_025543?
The molecular weight of ChemDiv1_025543 is 491.97 g/mol.
Where can I buy ChemDiv1_025543?
You can request a quote for ChemDiv1_025543 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_025543?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_025543 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.