RefChem:1096526
TL;DR: RefChem:1096526 (CAS 24477-47-2) is a chemical compound with molecular formula C16H11K2N3O6 and molecular weight 418.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dipotassium;7-nitro-2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepine-3-carboxylate;hydroxide
Also Known As: 1H-1,4-Benzodiazepine-3-carboxylic acid, 2-hydroxy-7-nitro-5-phenyl-, monopotassium salt, compd. with potassium hydroxide, dipotassium 7-nitro-2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepine-3-carboxylate hydroxide, dipotassium;7-nitro-2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepine-3-carboxylate;hydroxide, Potassium 7-nitro-2-oxido-5-phenyl-3H-1,4-benzodiazepine-3-carboxylate--water (2/1/1), RefChem:1096526
| Molecular Formula | C16H11K2N3O6 |
|---|---|
| Molecular Weight | 418.99 g/mol |
| LogP | -5.67 |
| Topological Polar Surface Area | 128.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 1 |
| Exact Mass | 418.9922 |
| Heavy Atoms | 27 |
| Complexity | 559.0 |
Chemical Identifiers
| CAS Number | 24477-47-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=NC(C(=O)NC3=C2C=C(C=C3)[N+](=O)[O-])C(=O)[O-].[OH-].[K+].[K+] |
| InChIKey | RLJAGKQMMRLUSE-UHFFFAOYSA-L |
Product Overview
RefChem:1096526 (CAS 24477-47-2), with molecular formula C16H11K2N3O6 and molecular weight 418.99 g/mol. IUPAC: dipotassium;7-nitro-2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepine-3-carboxylate;hydroxide.
Chemical Property Profile of RefChem:1096526
Property Insights of RefChem:1096526
The XLogP value of -5.67 indicates that RefChem:1096526 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 128.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1096526. Following Lipinski's Rule of Five, RefChem:1096526 has 2 hydrogen bond donor(s) and 7 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 RefChem:1096526?
The CAS number of RefChem:1096526 is 24477-47-2.
What is the molecular formula of RefChem:1096526?
The molecular formula of RefChem:1096526 is C16H11K2N3O6.
What is the molecular weight of RefChem:1096526?
The molecular weight of RefChem:1096526 is 418.99 g/mol.
Where can I buy RefChem:1096526?
You can request a quote for RefChem:1096526 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1096526?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1096526 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.