Methanesulfonic acid, 1,1,1-trifluoro-, compd. with N,N-diethylethanamine (1:1)
TL;DR: Methanesulfonic acid, 1,1,1-trifluoro-, compd. with N,N-diethylethanamine (1:1) (CAS 646-58-2) is a chemical compound with molecular formula C7H16F3NO3S and molecular weight 251.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N,N-diethylethanamine;trifluoromethanesulfonic acid
Also Known As: Triethylamine salt of trifluoromethanesulfonic acid, Tirethylammomium trifluoromethanesulfonate, Methanesulfonic acid, 1,1,1-trifluoro-, compd. with N,N-diethylethanamine (1:1), N,N-diethylethanamine; trifluoromethanesulfonic acid, trifluoromethanesulfonic acid- n,n-diethylethanamine(1:1)
| Molecular Formula | C7H16F3NO3S |
|---|---|
| Molecular Weight | 251.08 g/mol |
| LogP | 1.74 |
| Topological Polar Surface Area | 66.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 251.08029 |
| Heavy Atoms | 15 |
| Complexity | 184.0 |
Chemical Identifiers
| CAS Number | 646-58-2 |
|---|---|
| SMILES | CCN(CC)CC.C(F)(F)(F)S(=O)(=O)O |
| InChIKey | TVBIVRGNYNBFCD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methanesulfonic acid, 1,1,1-trifluoro-, compd. with N,N-diethylethanamine (1:1) (CAS 646-58-2), with molecular formula C7H16F3NO3S and molecular weight 251.08 g/mol. IUPAC: N,N-diethylethanamine;trifluoromethanesulfonic acid.
Chemical Property Profile of Methanesulfonic acid, 1,1,1-trifluoro-, compd. with N,N-diethylethanamine (1:1)
Property Insights of Methanesulfonic acid, 1,1,1-trifluoro-, compd. with N,N-diethylethanamine (1:1)
The XLogP value of 1.74 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methanesulfonic acid, 1,1,1-trifluoro-, compd. with N,N-diethylethanamine (1:1). The TPSA of 66.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Methanesulfonic acid, 1,1,1-trifluoro-, compd. with N,N-diethylethanamine (1:1). Following Lipinski's Rule of Five, Methanesulfonic acid, 1,1,1-trifluoro-, compd. with N,N-diethylethanamine (1:1) has 1 hydrogen bond donor(s) and 7 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 Methanesulfonic acid, 1,1,1-trifluoro-, compd. with N,N-diethylethanamine (1:1)?
The CAS number of Methanesulfonic acid, 1,1,1-trifluoro-, compd. with N,N-diethylethanamine (1:1) is 646-58-2.
What is the molecular formula of Methanesulfonic acid, 1,1,1-trifluoro-, compd. with N,N-diethylethanamine (1:1)?
The molecular formula of Methanesulfonic acid, 1,1,1-trifluoro-, compd. with N,N-diethylethanamine (1:1) is C7H16F3NO3S.
What is the molecular weight of Methanesulfonic acid, 1,1,1-trifluoro-, compd. with N,N-diethylethanamine (1:1)?
The molecular weight of Methanesulfonic acid, 1,1,1-trifluoro-, compd. with N,N-diethylethanamine (1:1) is 251.08 g/mol.
Where can I buy Methanesulfonic acid, 1,1,1-trifluoro-, compd. with N,N-diethylethanamine (1:1)?
You can request a quote for Methanesulfonic acid, 1,1,1-trifluoro-, compd. with N,N-diethylethanamine (1:1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methanesulfonic acid, 1,1,1-trifluoro-, compd. with N,N-diethylethanamine (1:1)?
Yes, KEHONG BIO provides custom synthesis services for Methanesulfonic acid, 1,1,1-trifluoro-, compd. with N,N-diethylethanamine (1:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.