1-Nitro-3-(trifluoromethane)sulfonylbenzene
TL;DR: 1-Nitro-3-(trifluoromethane)sulfonylbenzene (CAS 1548-72-7) is a chemical compound with molecular formula C7H4F3NO4S and molecular weight 254.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-nitro-3-(trifluoromethylsulfonyl)benzene
Also Known As: 1-Nitro-3-(trifluoromethane)sulfonylbenzene, 1-nitro-3-(trifluoromethylsulfonyl)benzene, 1-nitro-3-triflyl-benzene, 1-nitro-3-trifluoromethanesulfonylbenzene, 3-Nitrophenyl trifluoromethyl sulfone
| Molecular Formula | C7H4F3NO4S |
|---|---|
| Molecular Weight | 254.98 g/mol |
| LogP | 1.8883 |
| Topological Polar Surface Area | 77.28 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 254.98131 |
| Heavy Atoms | 16 |
| Complexity | 522.67865 |
Chemical Identifiers
| CAS Number | 1548-72-7 |
|---|---|
| SMILES | C1=CC(=CC(=C1)S(=O)(=O)C(F)(F)F)[N+](=O)[O-] |
Product Overview
1-Nitro-3-(trifluoromethane)sulfonylbenzene (CAS 1548-72-7), with molecular formula C7H4F3NO4S and molecular weight 254.98 g/mol. IUPAC: 1-nitro-3-(trifluoromethylsulfonyl)benzene.
Chemical Property Profile of 1-Nitro-3-(trifluoromethane)sulfonylbenzene
Property Insights of 1-Nitro-3-(trifluoromethane)sulfonylbenzene
The XLogP value of 1.8883 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Nitro-3-(trifluoromethane)sulfonylbenzene. The TPSA of 77.28 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Nitro-3-(trifluoromethane)sulfonylbenzene. Following Lipinski's Rule of Five, 1-Nitro-3-(trifluoromethane)sulfonylbenzene has 0 hydrogen bond donor(s) and 4 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 1-Nitro-3-(trifluoromethane)sulfonylbenzene?
The CAS number of 1-Nitro-3-(trifluoromethane)sulfonylbenzene is 1548-72-7.
What is the molecular formula of 1-Nitro-3-(trifluoromethane)sulfonylbenzene?
The molecular formula of 1-Nitro-3-(trifluoromethane)sulfonylbenzene is C7H4F3NO4S.
What is the molecular weight of 1-Nitro-3-(trifluoromethane)sulfonylbenzene?
The molecular weight of 1-Nitro-3-(trifluoromethane)sulfonylbenzene is 254.98 g/mol.
Where can I buy 1-Nitro-3-(trifluoromethane)sulfonylbenzene?
You can request a quote for 1-Nitro-3-(trifluoromethane)sulfonylbenzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Nitro-3-(trifluoromethane)sulfonylbenzene?
Yes, KEHONG BIO provides custom synthesis services for 1-Nitro-3-(trifluoromethane)sulfonylbenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.