1,2-Benzenediol, 3,5-bis((trifluoromethyl)sulfonyl)-
TL;DR: 1,2-Benzenediol, 3,5-bis((trifluoromethyl)sulfonyl)- (CAS 125629-20-1) is a chemical compound with molecular formula C8H4F6O6S2 and molecular weight 373.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,5-bis(trifluoromethylsulfonyl)benzene-1,2-diol
Also Known As: 3,5-Bis((trifluoromethyl)sulfonyl)-1,2-benzenediol, 1,2-Benzenediol, 3,5-bis((trifluoromethyl)sulfonyl)-, 3,5-bis(trifluoromethylsulfonyl)benzene-1,2-diol, 1,2-Benzenediol,3,5-bis[(trifluoromethyl)sulfonyl]-, 3,5-Bis(trifluoromethanesulfonyl)benzene-1,2-diol
| Molecular Formula | C8H4F6O6S2 |
|---|---|
| Molecular Weight | 373.94 g/mol |
| LogP | 1.6848 |
| Topological Polar Surface Area | 108.74 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 373.93536 |
| Heavy Atoms | 22 |
| Complexity | 804.7536 |
Chemical Identifiers
| CAS Number | 125629-20-1 |
|---|---|
| SMILES | C1=C(C=C(C(=C1O)O)S(=O)(=O)C(F)(F)F)S(=O)(=O)C(F)(F)F |
Product Overview
1,2-Benzenediol, 3,5-bis((trifluoromethyl)sulfonyl)- (CAS 125629-20-1), with molecular formula C8H4F6O6S2 and molecular weight 373.94 g/mol. IUPAC: 3,5-bis(trifluoromethylsulfonyl)benzene-1,2-diol.
Chemical Property Profile of 1,2-Benzenediol, 3,5-bis((trifluoromethyl)sulfonyl)-
Property Insights of 1,2-Benzenediol, 3,5-bis((trifluoromethyl)sulfonyl)-
The XLogP value of 1.6848 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,2-Benzenediol, 3,5-bis((trifluoromethyl)sulfonyl)-. The TPSA of 108.74 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,2-Benzenediol, 3,5-bis((trifluoromethyl)sulfonyl)-. Following Lipinski's Rule of Five, 1,2-Benzenediol, 3,5-bis((trifluoromethyl)sulfonyl)- has 2 hydrogen bond donor(s) and 6 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 1,2-Benzenediol, 3,5-bis((trifluoromethyl)sulfonyl)-?
The CAS number of 1,2-Benzenediol, 3,5-bis((trifluoromethyl)sulfonyl)- is 125629-20-1.
What is the molecular formula of 1,2-Benzenediol, 3,5-bis((trifluoromethyl)sulfonyl)-?
The molecular formula of 1,2-Benzenediol, 3,5-bis((trifluoromethyl)sulfonyl)- is C8H4F6O6S2.
What is the molecular weight of 1,2-Benzenediol, 3,5-bis((trifluoromethyl)sulfonyl)-?
The molecular weight of 1,2-Benzenediol, 3,5-bis((trifluoromethyl)sulfonyl)- is 373.94 g/mol.
Where can I buy 1,2-Benzenediol, 3,5-bis((trifluoromethyl)sulfonyl)-?
You can request a quote for 1,2-Benzenediol, 3,5-bis((trifluoromethyl)sulfonyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2-Benzenediol, 3,5-bis((trifluoromethyl)sulfonyl)-?
Yes, KEHONG BIO provides custom synthesis services for 1,2-Benzenediol, 3,5-bis((trifluoromethyl)sulfonyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.