C21H17BrN2O7
TL;DR: C21H17BrN2O7 (CAS 370587-45-4) is a chemical compound with molecular formula C21H17BrN2O7 and molecular weight 488.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(3E)-2-(4-bromophenyl)-3-[hydroxy-(4-nitrophenyl)methylidene]-4,5-dioxopyrrolidin-1-yl]butanoic acid
Also Known As: 4-[2-(4-bromophenyl)-4-hydroxy-3-(4-nitrobenzoyl)-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]butanoic acid
| Molecular Formula | C21H17BrN2O7 |
|---|---|
| Molecular Weight | 488.02 g/mol |
| LogP | 3.6438 |
| Topological Polar Surface Area | 138.05 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 488.0219 |
| Heavy Atoms | 31 |
| Complexity | 1077.912 |
Chemical Identifiers
| CAS Number | 370587-45-4 |
|---|---|
| SMILES | C1=CC(=CC=C1C2/C(=C(/C3=CC=C(C=C3)[N+](=O)[O-])\O)/C(=O)C(=O)N2CCCC(=O)O)Br |
Product Overview
C21H17BrN2O7 (CAS 370587-45-4), with molecular formula C21H17BrN2O7 and molecular weight 488.02 g/mol. IUPAC: 4-[(3E)-2-(4-bromophenyl)-3-[hydroxy-(4-nitrophenyl)methylidene]-4,5-dioxopyrrolidin-1-yl]butanoic acid.
Chemical Property Profile of C21H17BrN2O7
Property Insights of C21H17BrN2O7
The XLogP value of 3.6438 indicates that C21H17BrN2O7 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 138.05 Ų falls within the moderate polarity range, balancing permeability and solubility for C21H17BrN2O7. Following Lipinski's Rule of Five, C21H17BrN2O7 has 2 hydrogen bond donor(s) and 6 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 C21H17BrN2O7?
The CAS number of C21H17BrN2O7 is 370587-45-4.
What is the molecular formula of C21H17BrN2O7?
The molecular formula of C21H17BrN2O7 is C21H17BrN2O7.
What is the molecular weight of C21H17BrN2O7?
The molecular weight of C21H17BrN2O7 is 488.02 g/mol.
Where can I buy C21H17BrN2O7?
You can request a quote for C21H17BrN2O7 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C21H17BrN2O7?
Yes, KEHONG BIO provides custom synthesis services for C21H17BrN2O7 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.