RefChem:304845
TL;DR: RefChem:304845 (CAS 124013-94-1) is a chemical compound with molecular formula C12H8F3N3O4 and molecular weight 315.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N'-hydroxy-5-[4-nitro-3-(trifluoromethyl)phenyl]furan-2-carboximidamide
Also Known As: 2-((3-Trifluoro)anilino)-6-oxo-5-pyrimidinecarboxylic acid, 5-Pyrimidinecarboxylic acid, 1,4-dihydro-4-oxo-2-((3-(trifluoromethyl)phenyl)amino)-, 1,4-Dihydro-4-oxo-2-(3-((trifluoromethyl)phenyl)amino)-5-pyrimidinecarboxylic acid, N'-hydroxy-5-[4-nitro-3-(trifluoromethyl)phenyl]furan-2-carboximidamide, RefChem:304845
| Molecular Formula | C12H8F3N3O4 |
|---|---|
| Molecular Weight | 315.05 g/mol |
| LogP | 2.9681 |
| Topological Polar Surface Area | 114.89 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 315.0467 |
| Heavy Atoms | 22 |
| Complexity | 752.315 |
Chemical Identifiers
| CAS Number | 124013-94-1 |
|---|---|
| SMILES | C1=CC(=C(C=C1C2=CC=C(O2)/C(=N\O)/N)C(F)(F)F)[N+](=O)[O-] |
Product Overview
RefChem:304845 (CAS 124013-94-1), with molecular formula C12H8F3N3O4 and molecular weight 315.05 g/mol. IUPAC: N'-hydroxy-5-[4-nitro-3-(trifluoromethyl)phenyl]furan-2-carboximidamide.
Chemical Property Profile of RefChem:304845
Property Insights of RefChem:304845
The XLogP value of 2.9681 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:304845. The TPSA of 114.89 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:304845. Following Lipinski's Rule of Five, RefChem:304845 has 2 hydrogen bond donor(s) and 5 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:304845?
The CAS number of RefChem:304845 is 124013-94-1.
What is the molecular formula of RefChem:304845?
The molecular formula of RefChem:304845 is C12H8F3N3O4.
What is the molecular weight of RefChem:304845?
The molecular weight of RefChem:304845 is 315.05 g/mol.
Where can I buy RefChem:304845?
You can request a quote for RefChem:304845 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:304845?
Yes, KEHONG BIO provides custom synthesis services for RefChem:304845 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.