6-beta-(Trifluoromethanesulfonyl)amido-penicillanic acid sulfone
TL;DR: 6-beta-(Trifluoromethanesulfonyl)amido-penicillanic acid sulfone (CAS 881-70-9) is a chemical compound with molecular formula C9H11F3N2O7S2 and molecular weight 380.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S,5R,6R)-3,3-dimethyl-4,4,7-trioxo-6-(trifluoromethylsulfonylamino)-4λ6-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
Also Known As: Tfmsapas, N-(3,4-Dimethoxyphenyl)acetamide, 5-(1-methylbenzimidazol-2-yl)-3H-1,3,4-oxadiazol-2-one, 6-beta-(Trifluoromethane sulfonyl)amido-penicillanic acid sulfone, 6-beta-(Trifluoromethanesulfonyl)amido-penicillanic acid sulfone
| Molecular Formula | C9H11F3N2O7S2 |
|---|---|
| Molecular Weight | 380.00 g/mol |
| LogP | -0.6 |
| Topological Polar Surface Area | 155.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 3 |
| Exact Mass | 379.99597 |
| Heavy Atoms | 23 |
| Complexity | 775.0 |
Chemical Identifiers
| CAS Number | 881-70-9 |
|---|---|
| SMILES | CC1([C@@H](N2[C@H](S1(=O)=O)[C@@H](C2=O)NS(=O)(=O)C(F)(F)F)C(=O)O)C |
| InChIKey | MKYKOVWZXOFQAA-ALEPSDHESA-N |
Product Overview
6-beta-(Trifluoromethanesulfonyl)amido-penicillanic acid sulfone (CAS 881-70-9), with molecular formula C9H11F3N2O7S2 and molecular weight 380.00 g/mol. IUPAC: (2S,5R,6R)-3,3-dimethyl-4,4,7-trioxo-6-(trifluoromethylsulfonylamino)-4λ6-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid.
Chemical Property Profile of 6-beta-(Trifluoromethanesulfonyl)amido-penicillanic acid sulfone
Property Insights of 6-beta-(Trifluoromethanesulfonyl)amido-penicillanic acid sulfone
The XLogP value of -0.6 indicates that 6-beta-(Trifluoromethanesulfonyl)amido-penicillanic acid sulfone is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 155.0 Ų indicates high polarity, suggesting 6-beta-(Trifluoromethanesulfonyl)amido-penicillanic acid sulfone may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 6-beta-(Trifluoromethanesulfonyl)amido-penicillanic acid sulfone has 2 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 6-beta-(Trifluoromethanesulfonyl)amido-penicillanic acid sulfone?
The CAS number of 6-beta-(Trifluoromethanesulfonyl)amido-penicillanic acid sulfone is 881-70-9.
What is the molecular formula of 6-beta-(Trifluoromethanesulfonyl)amido-penicillanic acid sulfone?
The molecular formula of 6-beta-(Trifluoromethanesulfonyl)amido-penicillanic acid sulfone is C9H11F3N2O7S2.
What is the molecular weight of 6-beta-(Trifluoromethanesulfonyl)amido-penicillanic acid sulfone?
The molecular weight of 6-beta-(Trifluoromethanesulfonyl)amido-penicillanic acid sulfone is 380.00 g/mol.
Where can I buy 6-beta-(Trifluoromethanesulfonyl)amido-penicillanic acid sulfone?
You can request a quote for 6-beta-(Trifluoromethanesulfonyl)amido-penicillanic acid sulfone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-beta-(Trifluoromethanesulfonyl)amido-penicillanic acid sulfone?
Yes, KEHONG BIO provides custom synthesis services for 6-beta-(Trifluoromethanesulfonyl)amido-penicillanic acid sulfone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.