RefChem:505783
TL;DR: RefChem:505783 (CAS 63665-95-2) is a chemical compound with molecular formula C10H7N4NaO5 and molecular weight 286.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
sodium 3-methyl-4-nitro-1-(4-nitrophenyl)pyrazol-5-olate
Also Known As: 3H-Pyrazol-3-one, 2,4-dihydro-5-methyl-4-nitro-2-(4-nitrophenyl)-, ion(1-), sodium, sodium 5-methyl-4-nitro-2-(4-nitrophenyl)pyrazol-3-olate, 3H-Pyrazol-3-one, 2,4-dihydro-5-methyl-4-nitro-2-(4-nitrophenyl)-, ion(1-), sodium (1:1), sodium 3-methyl-4-nitro-1-(4-nitrophenyl)-1h-pyrazol-5-olate, 3H-Pyrazol-3-one, 2,4-dihydro-5-methyl-4-nitro-2-(4-nitrophenyl)-, monosodium salt
| Molecular Formula | C10H7N4NaO5 |
|---|---|
| Molecular Weight | 286.03 g/mol |
| LogP | -1.93 |
| Topological Polar Surface Area | 133.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 1 |
| Exact Mass | 286.0314 |
| Heavy Atoms | 20 |
| Complexity | 360.0 |
Chemical Identifiers
| CAS Number | 63665-95-2 |
|---|---|
| SMILES | CC1=NN(C(=C1[N+](=O)[O-])[O-])C2=CC=C(C=C2)[N+](=O)[O-].[Na+] |
| InChIKey | QRYHBJHFHKSUKH-UHFFFAOYSA-M |
Product Overview
RefChem:505783 (CAS 63665-95-2), with molecular formula C10H7N4NaO5 and molecular weight 286.03 g/mol. IUPAC: sodium 3-methyl-4-nitro-1-(4-nitrophenyl)pyrazol-5-olate.
Chemical Property Profile of RefChem:505783
Property Insights of RefChem:505783
The XLogP value of -1.93 indicates that RefChem:505783 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 133.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:505783. Following Lipinski's Rule of Five, RefChem:505783 has 0 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 RefChem:505783?
The CAS number of RefChem:505783 is 63665-95-2.
What is the molecular formula of RefChem:505783?
The molecular formula of RefChem:505783 is C10H7N4NaO5.
What is the molecular weight of RefChem:505783?
The molecular weight of RefChem:505783 is 286.03 g/mol.
Where can I buy RefChem:505783?
You can request a quote for RefChem:505783 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:505783?
Yes, KEHONG BIO provides custom synthesis services for RefChem:505783 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.