Nitrofarin sodium
TL;DR: Nitrofarin sodium (CAS 87746-77-8) is a chemical compound with molecular formula C20H16NNaO6 and molecular weight 389.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
sodium 3-[1-(4-nitrophenyl)-3-oxopentyl]-2-oxochromen-4-olate
Also Known As: Nitrofarin sodium, Nitropharin sodium, Sodium;3-[1-(4-nitrophenyl)-3-oxopentyl]-2-oxochromen-4-olate, 2H-1-Benzopyran-2-one, 4-hydroxy-3-(1-(4-nitrophenyl)-3-oxopentyl)-, sodium salt (1:1), Sodium 3-[1-(4-nitrophenyl)-3-oxo-pentyl]-4-oxo-chromen-2-olate
| Molecular Formula | C20H16NNaO6 |
|---|---|
| Molecular Weight | 389.09 g/mol |
| LogP | 0.2799 |
| Topological Polar Surface Area | 113.48 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 389.08752 |
| Heavy Atoms | 28 |
| Complexity | 1074.2412 |
Chemical Identifiers
| CAS Number | 87746-77-8 |
|---|---|
| SMILES | CCC(=O)CC(C1=CC=C(C=C1)[N+](=O)[O-])C2=C(C3=CC=CC=C3OC2=O)[O-].[Na+] |
Product Overview
Nitrofarin sodium (CAS 87746-77-8), with molecular formula C20H16NNaO6 and molecular weight 389.09 g/mol. IUPAC: sodium 3-[1-(4-nitrophenyl)-3-oxopentyl]-2-oxochromen-4-olate.
Chemical Property Profile of Nitrofarin sodium
Property Insights of Nitrofarin sodium
The XLogP value of 0.2799 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Nitrofarin sodium. The TPSA of 113.48 Ų falls within the moderate polarity range, balancing permeability and solubility for Nitrofarin sodium. Following Lipinski's Rule of Five, Nitrofarin sodium 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 Nitrofarin sodium?
The CAS number of Nitrofarin sodium is 87746-77-8.
What is the molecular formula of Nitrofarin sodium?
The molecular formula of Nitrofarin sodium is C20H16NNaO6.
What is the molecular weight of Nitrofarin sodium?
The molecular weight of Nitrofarin sodium is 389.09 g/mol.
Where can I buy Nitrofarin sodium?
You can request a quote for Nitrofarin sodium directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Nitrofarin sodium?
Yes, KEHONG BIO provides custom synthesis services for Nitrofarin sodium and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.