Methyl 3,3,3-trifluoro-2-(4-methylphenyl)sulfonyliminopropanoate
TL;DR: Methyl 3,3,3-trifluoro-2-(4-methylphenyl)sulfonyliminopropanoate (CAS 370877-57-9) is a chemical compound with molecular formula C11H10F3NO4S and molecular weight 309.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3,3,3-trifluoro-2-(4-methylphenyl)sulfonyliminopropanoate
Also Known As: METHYL 3,3,3-TRIFLUORO-2-(TOSYLIMINO)PROPIONATE, Methyl 3,3,3-Trifluoro-2-[toluene-4-sulfonylimino] propionate, methyl 3,3,3-trifluoro-2-(4-methylphenyl)sulfonyliminopropanoate
| Molecular Formula | C11H10F3NO4S |
|---|---|
| Molecular Weight | 309.03 g/mol |
| LogP | 1.86002 |
| Topological Polar Surface Area | 72.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 309.02826 |
| Heavy Atoms | 20 |
| Complexity | 632.62726 |
Chemical Identifiers
| CAS Number | 370877-57-9 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)N=C(C(=O)OC)C(F)(F)F |
Product Overview
Methyl 3,3,3-trifluoro-2-(4-methylphenyl)sulfonyliminopropanoate (CAS 370877-57-9), with molecular formula C11H10F3NO4S and molecular weight 309.03 g/mol. IUPAC: methyl 3,3,3-trifluoro-2-(4-methylphenyl)sulfonyliminopropanoate.
Chemical Property Profile of Methyl 3,3,3-trifluoro-2-(4-methylphenyl)sulfonyliminopropanoate
Property Insights of Methyl 3,3,3-trifluoro-2-(4-methylphenyl)sulfonyliminopropanoate
The XLogP value of 1.86002 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 3,3,3-trifluoro-2-(4-methylphenyl)sulfonyliminopropanoate. The TPSA of 72.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 3,3,3-trifluoro-2-(4-methylphenyl)sulfonyliminopropanoate. Following Lipinski's Rule of Five, Methyl 3,3,3-trifluoro-2-(4-methylphenyl)sulfonyliminopropanoate 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 3,3,3-trifluoro-2-(4-methylphenyl)sulfonyliminopropanoate?
The CAS number of Methyl 3,3,3-trifluoro-2-(4-methylphenyl)sulfonyliminopropanoate is 370877-57-9.
What is the molecular formula of Methyl 3,3,3-trifluoro-2-(4-methylphenyl)sulfonyliminopropanoate?
The molecular formula of Methyl 3,3,3-trifluoro-2-(4-methylphenyl)sulfonyliminopropanoate is C11H10F3NO4S.
What is the molecular weight of Methyl 3,3,3-trifluoro-2-(4-methylphenyl)sulfonyliminopropanoate?
The molecular weight of Methyl 3,3,3-trifluoro-2-(4-methylphenyl)sulfonyliminopropanoate is 309.03 g/mol.
Where can I buy Methyl 3,3,3-trifluoro-2-(4-methylphenyl)sulfonyliminopropanoate?
You can request a quote for Methyl 3,3,3-trifluoro-2-(4-methylphenyl)sulfonyliminopropanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 3,3,3-trifluoro-2-(4-methylphenyl)sulfonyliminopropanoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3,3,3-trifluoro-2-(4-methylphenyl)sulfonyliminopropanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.