2-Formyl-4-nitrophenyl 3,5-di(trifluoromethyl)benzene-1-sulphonate
TL;DR: 2-Formyl-4-nitrophenyl 3,5-di(trifluoromethyl)benzene-1-sulphonate (CAS 218287-70-8) is a chemical compound with molecular formula C15H7F6NO6S and molecular weight 442.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-formyl-4-nitrophenyl) 3,5-bis(trifluoromethyl)benzenesulfonate
Also Known As: 2-formyl-4-nitrophenyl 3,5-di(trifluoromethyl)benzene-1-sulphonate, 2-formyl-4-nitrophenyl 3,5-di(trifluoromethyl)benzene-1-sulfonate, (2-formyl-4-nitrophenyl) 3,5-bis(trifluoromethyl)benzenesulfonate, 2-formyl-4-nitrophenyl 3,5-bis(trifluoromethyl)benzenesulfonate, N/A
| Molecular Formula | C15H7F6NO6S |
|---|---|
| Molecular Weight | 442.99 g/mol |
| LogP | 4.2126 |
| Topological Polar Surface Area | 103.58 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 442.98984 |
| Heavy Atoms | 29 |
| Complexity | 1045.43 |
Chemical Identifiers
| CAS Number | 218287-70-8 |
|---|---|
| SMILES | C1=CC(=C(C=C1[N+](=O)[O-])C=O)OS(=O)(=O)C2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F |
Product Overview
2-Formyl-4-nitrophenyl 3,5-di(trifluoromethyl)benzene-1-sulphonate (CAS 218287-70-8), with molecular formula C15H7F6NO6S and molecular weight 442.99 g/mol. IUPAC: (2-formyl-4-nitrophenyl) 3,5-bis(trifluoromethyl)benzenesulfonate.
Chemical Property Profile of 2-Formyl-4-nitrophenyl 3,5-di(trifluoromethyl)benzene-1-sulphonate
Property Insights of 2-Formyl-4-nitrophenyl 3,5-di(trifluoromethyl)benzene-1-sulphonate
The XLogP value of 4.2126 indicates that 2-Formyl-4-nitrophenyl 3,5-di(trifluoromethyl)benzene-1-sulphonate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 103.58 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Formyl-4-nitrophenyl 3,5-di(trifluoromethyl)benzene-1-sulphonate. Following Lipinski's Rule of Five, 2-Formyl-4-nitrophenyl 3,5-di(trifluoromethyl)benzene-1-sulphonate 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 2-Formyl-4-nitrophenyl 3,5-di(trifluoromethyl)benzene-1-sulphonate?
The CAS number of 2-Formyl-4-nitrophenyl 3,5-di(trifluoromethyl)benzene-1-sulphonate is 218287-70-8.
What is the molecular formula of 2-Formyl-4-nitrophenyl 3,5-di(trifluoromethyl)benzene-1-sulphonate?
The molecular formula of 2-Formyl-4-nitrophenyl 3,5-di(trifluoromethyl)benzene-1-sulphonate is C15H7F6NO6S.
What is the molecular weight of 2-Formyl-4-nitrophenyl 3,5-di(trifluoromethyl)benzene-1-sulphonate?
The molecular weight of 2-Formyl-4-nitrophenyl 3,5-di(trifluoromethyl)benzene-1-sulphonate is 442.99 g/mol.
Where can I buy 2-Formyl-4-nitrophenyl 3,5-di(trifluoromethyl)benzene-1-sulphonate?
You can request a quote for 2-Formyl-4-nitrophenyl 3,5-di(trifluoromethyl)benzene-1-sulphonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Formyl-4-nitrophenyl 3,5-di(trifluoromethyl)benzene-1-sulphonate?
Yes, KEHONG BIO provides custom synthesis services for 2-Formyl-4-nitrophenyl 3,5-di(trifluoromethyl)benzene-1-sulphonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.