200,000+ products from a single source!
sales@angenechem.com
1429129-68-9 | 3-(3,5-Dimethyl-4-isoxazolyl)-5-hydroxy-α-phenyl-benzenemethanol
CAS No: 1429129-68-9 Catalog No: AG01E22H MDL No:
Product Description
Catalog Number:
AG01E22H
Chemical Name:
3-(3,5-Dimethyl-4-isoxazolyl)-5-hydroxy-α-phenyl-benzenemethanol
CAS Number:
1429129-68-9
Molecular Formula:
C18H17NO3
Molecular Weight:
295.3325
IUPAC Name:
3-(3,5-dimethyl-1,2-oxazol-4-yl)-5-[hydroxy(phenyl)methyl]phenol
InChI:
InChI=1S/C18H17NO3/c1-11-17(12(2)22-19-11)14-8-15(10-16(20)9-14)18(21)13-6-4-3-5-7-13/h3-10,18,20-21H,1-2H3
InChI Key:
FEQUIPXIENTMJN-UHFFFAOYSA-N
SMILES:
Oc1cc(cc(c1)c1c(C)noc1C)C(c1ccccc1)O
Properties
Complexity:
358
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
295.121g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
295.338g/mol
Monoisotopic Mass:
295.121g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
66.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
Literature
| Title | Journal |
|---|---|
| Optimization of 3,5-dimethylisoxazole derivatives as potent bromodomain ligands. | Journal of medicinal chemistry 20130425 |
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.