4-Nitro-2-phenoxi-trifluormethansulfonanilid
TL;DR: 4-Nitro-2-phenoxi-trifluormethansulfonanilid (CAS 55688-39-6) is a chemical compound with molecular formula C20H20F3NO4 and molecular weight 395.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2,2-dimethyl-1,3-dioxolan-4-yl)methyl 2-[3-(trifluoromethyl)anilino]benzoate
Also Known As: 4-Nitro-2-phenoxi-trifluormethansulfonanilid, (2,2-dimethyl-1,3-dioxolan-4-yl)methyl 2-[3-(trifluoromethyl)anilino]benzoate, Benzoic acid, 2-((3-(trifluoromethyl)phenyl)amino)-, (2,2-dimethyl-1,3-dioxolan-4-yl)methyl ester, (+-)-, 2-((3-(TRIFLUOROMETHYL)PHENYL)AMINO)BENZOIC ACID (2,2-DIMETHYL-1,3-DIOXOLAN-4-YL)METHYL ESTER, BRN 1269906
| Molecular Formula | C20H20F3NO4 |
|---|---|
| Molecular Weight | 395.13 g/mol |
| LogP | 4.7573 |
| Topological Polar Surface Area | 56.79 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 395.13443 |
| Heavy Atoms | 28 |
| Complexity | 851.3396 |
Chemical Identifiers
| CAS Number | 55688-39-6 |
|---|---|
| SMILES | CC1(OCC(O1)COC(=O)C2=CC=CC=C2NC3=CC=CC(=C3)C(F)(F)F)C |
Product Overview
4-Nitro-2-phenoxi-trifluormethansulfonanilid (CAS 55688-39-6), with molecular formula C20H20F3NO4 and molecular weight 395.13 g/mol. IUPAC: (2,2-dimethyl-1,3-dioxolan-4-yl)methyl 2-[3-(trifluoromethyl)anilino]benzoate.
Chemical Property Profile of 4-Nitro-2-phenoxi-trifluormethansulfonanilid
Property Insights of 4-Nitro-2-phenoxi-trifluormethansulfonanilid
The XLogP value of 4.7573 indicates that 4-Nitro-2-phenoxi-trifluormethansulfonanilid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 56.79 Ų, 4-Nitro-2-phenoxi-trifluormethansulfonanilid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Nitro-2-phenoxi-trifluormethansulfonanilid has 1 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 4-Nitro-2-phenoxi-trifluormethansulfonanilid?
The CAS number of 4-Nitro-2-phenoxi-trifluormethansulfonanilid is 55688-39-6.
What is the molecular formula of 4-Nitro-2-phenoxi-trifluormethansulfonanilid?
The molecular formula of 4-Nitro-2-phenoxi-trifluormethansulfonanilid is C20H20F3NO4.
What is the molecular weight of 4-Nitro-2-phenoxi-trifluormethansulfonanilid?
The molecular weight of 4-Nitro-2-phenoxi-trifluormethansulfonanilid is 395.13 g/mol.
Where can I buy 4-Nitro-2-phenoxi-trifluormethansulfonanilid?
You can request a quote for 4-Nitro-2-phenoxi-trifluormethansulfonanilid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Nitro-2-phenoxi-trifluormethansulfonanilid?
Yes, KEHONG BIO provides custom synthesis services for 4-Nitro-2-phenoxi-trifluormethansulfonanilid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.