C26H24BrN3O5
TL;DR: C26H24BrN3O5 (CAS 844448-64-2) is a chemical compound with molecular formula C26H24BrN3O5 and molecular weight 537.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[(E)-[2-(4-bromophenyl)-4,5-dioxo-1-(pyridin-3-ylmethyl)pyrrolidin-3-ylidene]-hydroxymethyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate
Also Known As: ethyl 4-(2-(4-bromophenyl)-4-hydroxy-5-oxo-1-(pyridin-3-ylmethyl)-2,5-dihydro-1H-pyrrole-3-carbonyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate, ethyl 4-[(E)-[2-(4-bromophenyl)-4,5-dioxo-1-(pyridin-3-ylmethyl)pyrrolidin-3-ylidene]-hydroxymethyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate
| Molecular Formula | C26H24BrN3O5 |
|---|---|
| Molecular Weight | 537.09 g/mol |
| LogP | 4.58764 |
| Topological Polar Surface Area | 112.59 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 537.0899 |
| Heavy Atoms | 35 |
| Complexity | 1329.022 |
Chemical Identifiers
| CAS Number | 844448-64-2 |
|---|---|
| SMILES | CCOC(=O)C1=C(C(=C(N1)C)/C(=C\2/C(N(C(=O)C2=O)CC3=CN=CC=C3)C4=CC=C(C=C4)Br)/O)C |
Product Overview
C26H24BrN3O5 (CAS 844448-64-2), with molecular formula C26H24BrN3O5 and molecular weight 537.09 g/mol. IUPAC: ethyl 4-[(E)-[2-(4-bromophenyl)-4,5-dioxo-1-(pyridin-3-ylmethyl)pyrrolidin-3-ylidene]-hydroxymethyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate.
Chemical Property Profile of C26H24BrN3O5
Property Insights of C26H24BrN3O5
The XLogP value of 4.58764 indicates that C26H24BrN3O5 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 112.59 Ų falls within the moderate polarity range, balancing permeability and solubility for C26H24BrN3O5. Following Lipinski's Rule of Five, C26H24BrN3O5 has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of C26H24BrN3O5?
The CAS number of C26H24BrN3O5 is 844448-64-2.
What is the molecular formula of C26H24BrN3O5?
The molecular formula of C26H24BrN3O5 is C26H24BrN3O5.
What is the molecular weight of C26H24BrN3O5?
The molecular weight of C26H24BrN3O5 is 537.09 g/mol.
Where can I buy C26H24BrN3O5?
You can request a quote for C26H24BrN3O5 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C26H24BrN3O5?
Yes, KEHONG BIO provides custom synthesis services for C26H24BrN3O5 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.