2,2,2-trifluoroethyl 2-(4-formyl-N-methylanilino)ethanesulfonate
TL;DR: 2,2,2-trifluoroethyl 2-(4-formyl-N-methylanilino)ethanesulfonate (CAS 307511-60-0) is a chemical compound with molecular formula C12H14F3NO4S and molecular weight 325.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2,2-trifluoroethyl 2-(4-formyl-N-methylanilino)ethanesulfonate
Also Known As: BIM-0001670.P001, 2,2,2-trifluoroethyl 2-(4-formyl-N-methylanilino)ethanesulfonate, 2,2,2-trifluoroethyl 2-[(4-formylphenyl)(methyl)amino]ethane-1-sulfonate, 2,2,2-Trifluoroethyl 2-((4-formylphenyl)(methyl)amino)ethane-1-sulfonate
| Molecular Formula | C12H14F3NO4S |
|---|---|
| Molecular Weight | 325.06 g/mol |
| LogP | 1.844 |
| Topological Polar Surface Area | 63.68 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 325.05957 |
| Heavy Atoms | 21 |
| Complexity | 569.16046 |
Chemical Identifiers
| CAS Number | 307511-60-0 |
|---|---|
| SMILES | CN(CCS(=O)(=O)OCC(F)(F)F)C1=CC=C(C=C1)C=O |
Product Overview
2,2,2-trifluoroethyl 2-(4-formyl-N-methylanilino)ethanesulfonate (CAS 307511-60-0), with molecular formula C12H14F3NO4S and molecular weight 325.06 g/mol. IUPAC: 2,2,2-trifluoroethyl 2-(4-formyl-N-methylanilino)ethanesulfonate.
Chemical Property Profile of 2,2,2-trifluoroethyl 2-(4-formyl-N-methylanilino)ethanesulfonate
Property Insights of 2,2,2-trifluoroethyl 2-(4-formyl-N-methylanilino)ethanesulfonate
The XLogP value of 1.844 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,2,2-trifluoroethyl 2-(4-formyl-N-methylanilino)ethanesulfonate. The TPSA of 63.68 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,2,2-trifluoroethyl 2-(4-formyl-N-methylanilino)ethanesulfonate. Following Lipinski's Rule of Five, 2,2,2-trifluoroethyl 2-(4-formyl-N-methylanilino)ethanesulfonate has 0 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 2,2,2-trifluoroethyl 2-(4-formyl-N-methylanilino)ethanesulfonate?
The CAS number of 2,2,2-trifluoroethyl 2-(4-formyl-N-methylanilino)ethanesulfonate is 307511-60-0.
What is the molecular formula of 2,2,2-trifluoroethyl 2-(4-formyl-N-methylanilino)ethanesulfonate?
The molecular formula of 2,2,2-trifluoroethyl 2-(4-formyl-N-methylanilino)ethanesulfonate is C12H14F3NO4S.
What is the molecular weight of 2,2,2-trifluoroethyl 2-(4-formyl-N-methylanilino)ethanesulfonate?
The molecular weight of 2,2,2-trifluoroethyl 2-(4-formyl-N-methylanilino)ethanesulfonate is 325.06 g/mol.
Where can I buy 2,2,2-trifluoroethyl 2-(4-formyl-N-methylanilino)ethanesulfonate?
You can request a quote for 2,2,2-trifluoroethyl 2-(4-formyl-N-methylanilino)ethanesulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,2,2-trifluoroethyl 2-(4-formyl-N-methylanilino)ethanesulfonate?
Yes, KEHONG BIO provides custom synthesis services for 2,2,2-trifluoroethyl 2-(4-formyl-N-methylanilino)ethanesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.