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Benzene, 1-methoxy-2,4-bis[(trifluoromethyl)sulfonyl]-
TL;DR: Benzene, 1-methoxy-2,4-bis[(trifluoromethyl)sulfonyl]- (CAS 4975-10-4) is a chemical compound with molecular formula C9H6F6O5S2 and molecular weight 371.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-methoxy-2,4-bis(trifluoromethylsulfonyl)benzene
Also Known As: BAS 00312469, 1-methoxy-2,4-bis[(trifluoromethyl)sulfonyl]benzene, 1-methoxy-2,4-bis(trifluoromethylsulfonyl)benzene, Benzene, 1-methoxy-2,4-bis[(trifluoromethyl)sulfonyl]-, 1-METHOXY-2,4-DITRIFLUOROMETHANESULFONYLBENZENE
| Molecular Formula | C9H6F6O5S2 |
|---|---|
| Molecular Weight | 371.96 g/mol |
| LogP | 2.2822 |
| Topological Polar Surface Area | 77.51 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 371.9561 |
| Heavy Atoms | 22 |
| Complexity | 775.69556 |
Chemical Identifiers
| CAS Number | 4975-10-4 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)S(=O)(=O)C(F)(F)F)S(=O)(=O)C(F)(F)F |
Product Overview
Benzene, 1-methoxy-2,4-bis[(trifluoromethyl)sulfonyl]- (CAS 4975-10-4), with molecular formula C9H6F6O5S2 and molecular weight 371.96 g/mol. IUPAC: 1-methoxy-2,4-bis(trifluoromethylsulfonyl)benzene.
Chemical Property Profile of Benzene, 1-methoxy-2,4-bis[(trifluoromethyl)sulfonyl]-
Property Insights of Benzene, 1-methoxy-2,4-bis[(trifluoromethyl)sulfonyl]-
The XLogP value of 2.2822 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzene, 1-methoxy-2,4-bis[(trifluoromethyl)sulfonyl]-. The TPSA of 77.51 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzene, 1-methoxy-2,4-bis[(trifluoromethyl)sulfonyl]-. Following Lipinski's Rule of Five, Benzene, 1-methoxy-2,4-bis[(trifluoromethyl)sulfonyl]- 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 Benzene, 1-methoxy-2,4-bis[(trifluoromethyl)sulfonyl]-?
The CAS number of Benzene, 1-methoxy-2,4-bis[(trifluoromethyl)sulfonyl]- is 4975-10-4.
What is the molecular formula of Benzene, 1-methoxy-2,4-bis[(trifluoromethyl)sulfonyl]-?
The molecular formula of Benzene, 1-methoxy-2,4-bis[(trifluoromethyl)sulfonyl]- is C9H6F6O5S2.
What is the molecular weight of Benzene, 1-methoxy-2,4-bis[(trifluoromethyl)sulfonyl]-?
The molecular weight of Benzene, 1-methoxy-2,4-bis[(trifluoromethyl)sulfonyl]- is 371.96 g/mol.
Where can I buy Benzene, 1-methoxy-2,4-bis[(trifluoromethyl)sulfonyl]-?
You can request a quote for Benzene, 1-methoxy-2,4-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 Benzene, 1-methoxy-2,4-bis[(trifluoromethyl)sulfonyl]-?
Yes, KEHONG BIO provides custom synthesis services for Benzene, 1-methoxy-2,4-bis[(trifluoromethyl)sulfonyl]- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.