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CLOFOCTOL

CAS No.:
37693-01-9
Catalog Number:
AG00BXP3
Molecular Formula:
C21H26Cl2O
Molecular Weight:
365.3365
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
100mg
99%
1 week
United States
$140
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Product Description
Catalog Number:
AG00BXP3
Chemical Name:
CLOFOCTOL
CAS Number:
37693-01-9
Molecular Formula:
C21H26Cl2O
Molecular Weight:
365.3365
MDL Number:
MFCD00079014
IUPAC Name:
2-[(2,4-dichlorophenyl)methyl]-4-(2,4,4-trimethylpentan-2-yl)phenol
InChI:
InChI=1S/C21H26Cl2O/c1-20(2,3)13-21(4,5)16-7-9-19(24)15(11-16)10-14-6-8-17(22)12-18(14)23/h6-9,11-12,24H,10,13H2,1-5H3
InChI Key:
HQVZOORKDNCGCK-UHFFFAOYSA-N
SMILES:
Clc1ccc(c(c1)Cl)Cc1cc(ccc1O)C(CC(C)(C)C)(C)C
EC Number:
253-632-6
UNII:
704083NI0R
NSC Number:
758389
Properties
Complexity:
401  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
364.136g/mol
Formal Charge:
0
Heavy Atom Count:
24  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
365.338g/mol
Monoisotopic Mass:
364.136g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
8.1  
Literature
Title Journal
In vitro and in vivo pharmacokinetic/pharmacodynamic activity of clofoctol. Journal of chemotherapy (Florence, Italy) 20120801
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
Identification by automated screening of a small molecule that selectively eliminates neural stem cells derived from hESCs but not dopamine neurons. PloS one 20090101
Microsphere-based protease assays and screening application for lethal factor and factor Xa. Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501
Properties