RefChem:327263
TL;DR: RefChem:327263 (CAS 78506-80-6) is a chemical compound with molecular formula C25H12K2N4O11 and molecular weight 621.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dipotassium;4-[5-benzylidene-3-(4-carboxylato-3-nitrophenyl)-2,4,6-trioxo-1,3-diazinan-1-yl]-2-nitrobenzoate
Also Known As: Barbituric acid, 1,3-bis(4-carboxy-3-nitrophenyl)-5-benzylidene-, dipotassium salt, Benzoic acid, 4,4'-(5-benzylidene-2,4,6-trioxohexahydropyrimidin-1,3-diyl)bis(2-nitro-, dipotassium salt, DIPOTASSIUM4-[5-BENZYLIDENE-3-(4-CARBOXYLATO-3-NITROPHENYL)-2,4,6-TRIOXO-1,3-DIAZINAN-1-YL]-2-NITROBENZOATE, Dipotassium 4,4'-(5-benzylidene-2,4,6-trioxo-1,3-diazinane-1,3-diyl)bis(2-nitrobenzoate), 4,4'-(5-Benzylidene-2,4,6-trioxohexahydropyrimidine-1,3-diyl)bis(2-nitrobenzoic acid potassium) salt
| Molecular Formula | C25H12K2N4O11 |
|---|---|
| Molecular Weight | 621.98 g/mol |
| LogP | -5.18 |
| Topological Polar Surface Area | 230.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 3 |
| Exact Mass | 621.97766 |
| Heavy Atoms | 42 |
| Complexity | 1050.0 |
Chemical Identifiers
| CAS Number | 78506-80-6 |
|---|---|
| SMILES | C1=CC=C(C=C1)C=C2C(=O)N(C(=O)N(C2=O)C3=CC(=C(C=C3)C(=O)[O-])[N+](=O)[O-])C4=CC(=C(C=C4)C(=O)[O-])[N+](=O)[O-].[K+].[K+] |
| InChIKey | YZSMLVDTTQOPKP-UHFFFAOYSA-L |
Product Overview
RefChem:327263 (CAS 78506-80-6), with molecular formula C25H12K2N4O11 and molecular weight 621.98 g/mol. IUPAC: dipotassium;4-[5-benzylidene-3-(4-carboxylato-3-nitrophenyl)-2,4,6-trioxo-1,3-diazinan-1-yl]-2-nitrobenzoate.
Chemical Property Profile of RefChem:327263
Property Insights of RefChem:327263
The XLogP value of -5.18 indicates that RefChem:327263 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 230.0 Ų indicates high polarity, suggesting RefChem:327263 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:327263 has 0 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:327263?
The CAS number of RefChem:327263 is 78506-80-6.
What is the molecular formula of RefChem:327263?
The molecular formula of RefChem:327263 is C25H12K2N4O11.
What is the molecular weight of RefChem:327263?
The molecular weight of RefChem:327263 is 621.98 g/mol.
Where can I buy RefChem:327263?
You can request a quote for RefChem:327263 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:327263?
Yes, KEHONG BIO provides custom synthesis services for RefChem:327263 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.