RefChem:327267
TL;DR: RefChem:327267 (CAS 78472-89-6) is a chemical compound with molecular formula C26H14K2N4O12 and molecular weight 651.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dipotassium;4-[3-(4-carboxylato-3-nitrophenyl)-5-[(4-methoxyphenyl)methylidene]-2,4,6-trioxo-1,3-diazinan-1-yl]-2-nitrobenzoate
Also Known As: Benzoic acid, 4,4'-(dihydro-5-((4-methoxyphenyl)methylene)-2,4,6-trioxo-1,3(2H,4H)-pyrimidinediyl)bis(2-nitro-, dipotassium salt, 4,4'-[5-(p-Methoxybenzylidene)-2,4,6-trioxohexahydropyrimidine-1,3-diyl]bis(2-nitrobenzoic acid potassium) salt, BENZOIC ACID, 4,4'-(DIHYDRO-5-((4-METHOXYPHENYL)METHYLENE)-2,4,6-TRIOXO-1,3(2H,4, Dipotassium 4,4'-{5-[(4-methoxyphenyl)methylidene]-2,4,6-trioxo-1,3-diazinane-1,3-diyl}bis(2-nitrobenzoate), dipotassium 4-[3-(4-carboxylato-3-nitrophenyl)-5-[(4-methoxyphenyl)methylidene]-2,4,6-trioxo-1,3-diazinan-1-yl]-2-nitrobenzoate
| Molecular Formula | C26H14K2N4O12 |
|---|---|
| Molecular Weight | 651.99 g/mol |
| LogP | -5.17 |
| Topological Polar Surface Area | 239.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 4 |
| Exact Mass | 651.9882 |
| Heavy Atoms | 44 |
| Complexity | 1100.0 |
Chemical Identifiers
| CAS Number | 78472-89-6 |
|---|---|
| SMILES | COC1=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 | VRYYUQDEBWVSIV-UHFFFAOYSA-L |
Product Overview
RefChem:327267 (CAS 78472-89-6), with molecular formula C26H14K2N4O12 and molecular weight 651.99 g/mol. IUPAC: dipotassium;4-[3-(4-carboxylato-3-nitrophenyl)-5-[(4-methoxyphenyl)methylidene]-2,4,6-trioxo-1,3-diazinan-1-yl]-2-nitrobenzoate.
Chemical Property Profile of RefChem:327267
Property Insights of RefChem:327267
The XLogP value of -5.17 indicates that RefChem:327267 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 239.0 Ų indicates high polarity, suggesting RefChem:327267 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:327267 has 0 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:327267?
The CAS number of RefChem:327267 is 78472-89-6.
What is the molecular formula of RefChem:327267?
The molecular formula of RefChem:327267 is C26H14K2N4O12.
What is the molecular weight of RefChem:327267?
The molecular weight of RefChem:327267 is 651.99 g/mol.
Where can I buy RefChem:327267?
You can request a quote for RefChem:327267 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:327267?
Yes, KEHONG BIO provides custom synthesis services for RefChem:327267 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.