Methyl 2-benzenesulfonylimino-3,3,3-trifluoropropionate
TL;DR: Methyl 2-benzenesulfonylimino-3,3,3-trifluoropropionate (CAS 107651-35-4) is a chemical compound with molecular formula C10H8F3NO4S and molecular weight 295.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-(benzenesulfonylimino)-3,3,3-trifluoropropanoate
Also Known As: alpha-Naphthoflavone, methyl 2-(benzenesulfonylimino)-3,3,3-trifluoropropanoate, METHYL 2-BENZENESULFONYLIMINO-3,3,3-TRIFLUOROPROPIONATE, Methyl 2-[benzenesulfonylimino]-3,3,3, Methyl (2E)-2-(benzenesulfonylimino)-3,3,3-trifluoro-propanoate
| Molecular Formula | C10H8F3NO4S |
|---|---|
| Molecular Weight | 295.01 g/mol |
| LogP | 1.5516 |
| Topological Polar Surface Area | 72.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 295.0126 |
| Heavy Atoms | 19 |
| Complexity | 592.9508 |
Chemical Identifiers
| CAS Number | 107651-35-4 |
|---|---|
| SMILES | COC(=O)C(=NS(=O)(=O)C1=CC=CC=C1)C(F)(F)F |
Product Overview
Methyl 2-benzenesulfonylimino-3,3,3-trifluoropropionate (CAS 107651-35-4), with molecular formula C10H8F3NO4S and molecular weight 295.01 g/mol. IUPAC: methyl 2-(benzenesulfonylimino)-3,3,3-trifluoropropanoate.
Chemical Property Profile of Methyl 2-benzenesulfonylimino-3,3,3-trifluoropropionate
Property Insights of Methyl 2-benzenesulfonylimino-3,3,3-trifluoropropionate
The XLogP value of 1.5516 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 2-benzenesulfonylimino-3,3,3-trifluoropropionate. The TPSA of 72.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 2-benzenesulfonylimino-3,3,3-trifluoropropionate. Following Lipinski's Rule of Five, Methyl 2-benzenesulfonylimino-3,3,3-trifluoropropionate 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 Methyl 2-benzenesulfonylimino-3,3,3-trifluoropropionate?
The CAS number of Methyl 2-benzenesulfonylimino-3,3,3-trifluoropropionate is 107651-35-4.
What is the molecular formula of Methyl 2-benzenesulfonylimino-3,3,3-trifluoropropionate?
The molecular formula of Methyl 2-benzenesulfonylimino-3,3,3-trifluoropropionate is C10H8F3NO4S.
What is the molecular weight of Methyl 2-benzenesulfonylimino-3,3,3-trifluoropropionate?
The molecular weight of Methyl 2-benzenesulfonylimino-3,3,3-trifluoropropionate is 295.01 g/mol.
Where can I buy Methyl 2-benzenesulfonylimino-3,3,3-trifluoropropionate?
You can request a quote for Methyl 2-benzenesulfonylimino-3,3,3-trifluoropropionate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 2-benzenesulfonylimino-3,3,3-trifluoropropionate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-benzenesulfonylimino-3,3,3-trifluoropropionate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.