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832125-79-8

832125-79-8 | Phenol, 2-methoxy-5-[3-(3,4,5-trimethoxyphenyl)-5-isoxazolyl]-

CAS No: 832125-79-8 Catalog No: AG004Z4D MDL No:

Product Description

Catalog Number:
AG004Z4D
Chemical Name:
Phenol, 2-methoxy-5-[3-(3,4,5-trimethoxyphenyl)-5-isoxazolyl]-
CAS Number:
832125-79-8
Molecular Formula:
C19H19NO6
Molecular Weight:
357.3573
IUPAC Name:
2-methoxy-5-[3-(3,4,5-trimethoxyphenyl)-1,2-oxazol-5-yl]phenol
InChI:
InChI=1S/C19H19NO6/c1-22-15-6-5-11(7-14(15)21)16-10-13(20-26-16)12-8-17(23-2)19(25-4)18(9-12)24-3/h5-10,21H,1-4H3
InChI Key:
CVQDIFYDOWXLBZ-UHFFFAOYSA-N
SMILES:
COc1cc(cc(c1OC)OC)c1noc(c1)c1ccc(c(c1)O)OC

Properties

Complexity:
424  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
357.121g/mol
Formal Charge:
0
Heavy Atom Count:
26  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
357.362g/mol
Monoisotopic Mass:
357.121g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
83.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2  

Literature

Title Journal
Heterocyclic and phenyl double-bond-locked combretastatin analogues possessing potent apoptosis-inducing activity in HL60 and in MDR cell lines. Journal of medicinal chemistry 20050210

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