RefChem:327262
TL;DR: RefChem:327262 (CAS 78472-95-4) is a chemical compound with molecular formula C27H16K2N4O13 and molecular weight 682.00 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-[(3,4-dimethoxyphenyl)methylidene]-2,4,6-trioxo-1,3-diazinan-1-yl]-2-nitrobenzoate
Also Known As: Benzoic acid, 4,4'-(5-(3,4-dimethoxybenzylidene)-2,4,6-trioxohexahydropyrimidin-1,3-diyl)bis(2-nitro-, dipotassium salt, DIPOTASSIUM4-[3-(4-CARBOXYLATO-3-NITROPHENYL)-5-[(3,4-DIMETHOXYPHENYL)METHYLIDENE]-2,4,6-TRIOXO-1,3-DIAZINAN-1-YL]-2-NITROBENZOATE, BENZOIC ACID, 4,4'-(5-(3,4-DIMETHOXYBENZYLIDENE)-2,4,6-TRIOXOHEXAHYDROPYRIMIDIN-, 4,4'-[5-(3,4-Dimethoxybenzylidene)-2,4,6-trioxohexahydropyrimidine-1,3-diyl]bis(2-nitrobenzoic acid potassium) salt, Dipotassium 4,4'-{5-[(3,4-dimethoxyphenyl)methylidene]-2,4,6-trioxo-1,3-diazinane-1,3-diyl}bis(2-nitrobenzoate)
| Molecular Formula | C27H16K2N4O13 |
|---|---|
| Molecular Weight | 682.00 g/mol |
| LogP | -5.16 |
| Topological Polar Surface Area | 248.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 5 |
| Exact Mass | 681.9988 |
| Heavy Atoms | 46 |
| Complexity | 1160.0 |
Chemical Identifiers
| CAS Number | 78472-95-4 |
|---|---|
| SMILES | COC1=C(C=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-])OC.[K+].[K+] |
| InChIKey | IISCFYNLVBFYID-UHFFFAOYSA-L |
Product Overview
RefChem:327262 (CAS 78472-95-4), with molecular formula C27H16K2N4O13 and molecular weight 682.00 g/mol. IUPAC: dipotassium;4-[3-(4-carboxylato-3-nitrophenyl)-5-[(3,4-dimethoxyphenyl)methylidene]-2,4,6-trioxo-1,3-diazinan-1-yl]-2-nitrobenzoate.
Chemical Property Profile of RefChem:327262
Property Insights of RefChem:327262
The XLogP value of -5.16 indicates that RefChem:327262 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 248.0 Ų indicates high polarity, suggesting RefChem:327262 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:327262 has 0 hydrogen bond donor(s) and 13 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:327262?
The CAS number of RefChem:327262 is 78472-95-4.
What is the molecular formula of RefChem:327262?
The molecular formula of RefChem:327262 is C27H16K2N4O13.
What is the molecular weight of RefChem:327262?
The molecular weight of RefChem:327262 is 682.00 g/mol.
Where can I buy RefChem:327262?
You can request a quote for RefChem:327262 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:327262?
Yes, KEHONG BIO provides custom synthesis services for RefChem:327262 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.