Phloroglucin Tribenzyl Ether - CAS 59434-20-7

Catalog:	BB058166
Product Name:	Phloroglucin Tribenzyl Ether
CAS:	59434-20-7
Synonyms:	1,3,5-Tris(phenylmethoxy)benzene; 1,3,5-Tribenzyloxybenzene; 1,3,5-Tris(benzyloxy)benzene; Tribenzyl Phloroglucinol

Technical Data

IUPAC Name:	1,3,5-tris(phenylmethoxy)benzene
Description:	Phloroglucin Tribenzyl Ether is an intermediate used in the synthesis of Phloroglucinol Glucuronide Sodium Salt (P340015), which is used in preliminary clinical studies with ibenzmethyzin for hodgkin's disease and melanoma treatment.
Molecular Weight:	396.48
Molecular Formula:	C27H24O3
Canonical SMILES:	C1=CC=C(C=C1)COC2=CC(=CC(=C2)OCC3=CC=CC=C3)OCC4=CC=CC=C4
InChI:	InChI=1S/C27H24O3/c1-4-10-22(11-5-1)19-28-25-16-26(29-20-23-12-6-2-7-13-23)18-27(17-25)30-21-24-14-8-3-9-15-24/h1-18H,19-21H2
InChI Key:	UMHMEKANHYREIY-UHFFFAOYSA-N
References:	DeVita, V. T., et al. Clin. Pharmacol. Ther., 7, 542 (1966).

Complexity:	371
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	396.17254462
Formal Charge:	0
Heavy Atom Count:	30
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	396.17254462
Rotatable Bond Count:	9
Topological Polar Surface Area:	27.7Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	6.3