SynuClean-D
TL;DR: SynuClean-D (CAS 685121-45-3) is a chemical compound with molecular formula C13H5F3N4O5 and molecular weight 354.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-nitro-6-(3-nitrophenyl)-2-oxo-4-(trifluoromethyl)-1H-pyridine-3-carbonitrile
Also Known As: SynuClean-D, SynuClean D, SynuClean-?D, SC-D, 5-nitro-6-(3-nitrophenyl)-2-oxo-4-(trifluoromethyl)-1H-pyridine-3-carbonitrile
| Molecular Formula | C13H5F3N4O5 |
|---|---|
| Molecular Weight | 354.02 g/mol |
| LogP | 2.74878 |
| Topological Polar Surface Area | 142.93 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 354.0212 |
| Heavy Atoms | 25 |
| Complexity | 990.6248 |
Chemical Identifiers
| CAS Number | 685121-45-3 |
|---|---|
| SMILES | C1=CC(=CC(=C1)[N+](=O)[O-])C2=C(C(=C(C(=O)N2)C#N)C(F)(F)F)[N+](=O)[O-] |
Product Overview
SynuClean-D (CAS 685121-45-3), with molecular formula C13H5F3N4O5 and molecular weight 354.02 g/mol. IUPAC: 5-nitro-6-(3-nitrophenyl)-2-oxo-4-(trifluoromethyl)-1H-pyridine-3-carbonitrile.
Chemical Property Profile of SynuClean-D
Property Insights of SynuClean-D
The XLogP value of 2.74878 suggests moderate lipophilicity, balancing water solubility and membrane permeability for SynuClean-D. The TPSA of 142.93 Ų indicates high polarity, suggesting SynuClean-D may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, SynuClean-D has 1 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 SynuClean-D?
The CAS number of SynuClean-D is 685121-45-3.
What is the molecular formula of SynuClean-D?
The molecular formula of SynuClean-D is C13H5F3N4O5.
What is the molecular weight of SynuClean-D?
The molecular weight of SynuClean-D is 354.02 g/mol.
Where can I buy SynuClean-D?
You can request a quote for SynuClean-D directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for SynuClean-D?
Yes, KEHONG BIO provides custom synthesis services for SynuClean-D and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.