Pharacine

CAT: 1299-RG-P060001-04Size: 100 mgDry Ice: NoHazardous: No

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CAT#:1299-RG-P060001-04Size:100 mg

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CAS Number

63440-93-7

Synonyms

1,4-Butanediol-terephthaloyl chloride cyclic dimer; Pharacin; 3,8,12,17-tetraoxa-1,10 (1,4) -dibenzenacyclooctadecaphane-2,9,11,18-tetraone

Molecular Formula

C24H24O8

Molecular Weight

440.45

Target Alternative Name

Pharacine

Product Name Synonym

1,4-Butanediol-terephthaloyl chloride cyclic dimer; Pharacin; 3,8,12,17-tetraoxa-1,10 (1,4) -dibenzenacyclooctadecaphane-2,9,11,18-tetraone

Chemical Information

Pharacine

Pharacine is a phthalate ester.

CAS Number	63440-93-7
PubChem CID	10455912
IUPAC Name	3,8,15,20-tetraoxatricyclo[20.2.2.210,13]octacosa-1(25),10,12,22(26),23,27-hexaene-2,9,14,21-tetrone
Molecular Formula	C24H24O8
Molecular Weight	440.4
XLogP	4.2
Topological Polar Surface Area	105
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	0
Heavy Atom Count	32
Formal Charge	0
Complexity	532

SMILES

C1CCOC(=O)C2=CC=C(C=C2)C(=O)OCCCCOC(=O)C3=CC=C(C=C3)C(=O)OC1

InChI

InChI=1S/C24H24O8/c25-21-17-5-7-19(8-6-17)23(27)31-15-3-4-16-32-24(28)20-11-9-18(10-12-20)22(26)30-14-2-1-13-29-21/h5-12H,1-4,13-16H2

InChIKey

SFNCDJVWOAZMFE-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 63440-93-7

CID: 10455912

Formula: C24H24O8

MW: 440.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	440.4
XLogP3	4.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	0
Exact Mass	440.14711772
Monoisotopic Mass	440.14711772
Topological Polar Surface Area	105 Å²
Heavy Atom Count	32
Formal Charge	0
Complexity	532
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
TRC-P294550-5MG	Pharacine
CS-T-103514	Pharacine-D8