Cambridge id 5961320
TL;DR: Cambridge id 5961320 (CAS 5961-32-0) is a chemical compound with molecular formula C21H18N2O7 and molecular weight 410.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[3-[hydroxy(phenyl)methylidene]-2-(4-nitrophenyl)-4,5-dioxopyrrolidin-1-yl]butanoic acid
Also Known As: BAS 01403000, 4-[3-[hydroxy(phenyl)methylidene]-2-(4-nitrophenyl)-4,5-dioxopyrrolidin-1-yl]butanoic acid, 4-[(3E)-3-(hydroxy-phenyl-methylidene)-2-(4-nitrophenyl)-4,5-dioxo-pyrrolidin-1-yl]butanoic acid, Cambridge id 5961320
| Molecular Formula | C21H18N2O7 |
|---|---|
| Molecular Weight | 410.11 g/mol |
| LogP | 2.8813 |
| Topological Polar Surface Area | 138.05 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 410.1114 |
| Heavy Atoms | 30 |
| Complexity | 1029.0802 |
Chemical Identifiers
| CAS Number | 5961-32-0 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=C2C(N(C(=O)C2=O)CCCC(=O)O)C3=CC=C(C=C3)[N+](=O)[O-])O |
Product Overview
Cambridge id 5961320 (CAS 5961-32-0), with molecular formula C21H18N2O7 and molecular weight 410.11 g/mol. IUPAC: 4-[3-[hydroxy(phenyl)methylidene]-2-(4-nitrophenyl)-4,5-dioxopyrrolidin-1-yl]butanoic acid.
Chemical Property Profile of Cambridge id 5961320
Property Insights of Cambridge id 5961320
The XLogP value of 2.8813 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Cambridge id 5961320. The TPSA of 138.05 Ų falls within the moderate polarity range, balancing permeability and solubility for Cambridge id 5961320. Following Lipinski's Rule of Five, Cambridge id 5961320 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 Cambridge id 5961320?
The CAS number of Cambridge id 5961320 is 5961-32-0.
What is the molecular formula of Cambridge id 5961320?
The molecular formula of Cambridge id 5961320 is C21H18N2O7.
What is the molecular weight of Cambridge id 5961320?
The molecular weight of Cambridge id 5961320 is 410.11 g/mol.
Where can I buy Cambridge id 5961320?
You can request a quote for Cambridge id 5961320 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cambridge id 5961320?
Yes, KEHONG BIO provides custom synthesis services for Cambridge id 5961320 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.