Paricalcitol Impurity 24

CAT: 1299-RM-P011824-02Size: 25 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-P011824-02Size:25 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

139356-38-0

Synonyms

(((1R,3R) -5- (2-chloroethylidene) cyclohexane-1,3-diyl) bis (oxy) ) bis (tert-butyldimethylsilane)

Molecular Formula

C20H41ClO2Si2

Molecular Weight

405.17

Target Alternative Name

Paricalcitol

Product Name Synonym

(((1R,3R) -5- (2-chloroethylidene) cyclohexane-1,3-diyl) bis (oxy) ) bis (tert-butyldimethylsilane)

Chemical Information

Silane, [[(1R,3R)-5-(2-chloroethylidene)-1,3-cyclohexanediyl]bis(oxy)]bis[(1,1-dimethylethyl)dimethyl-

CAS Number	139356-38-0
PubChem CID	10993157
IUPAC Name	tert-butyl-[(1R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-(2-chloroethylidene)cyclohexyl]oxy-dimethylsilane
Molecular Formula	C20H41ClO2Si2
Molecular Weight	405.2
Topological Polar Surface Area	18.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	7
Heavy Atom Count	25
Formal Charge	0
Complexity	435

SMILES

CC(C)(C)[Si](C)(C)O[C@H]1C[C@@H](CC(=CCCl)C1)O[Si](C)(C)C(C)(C)C

InChI

InChI=1S/C20H41ClO2Si2/c1-19(2,3)24(7,8)22-17-13-16(11-12-21)14-18(15-17)23-25(9,10)20(4,5)6/h11,17-18H,12-15H2,1-10H3/t17-,18-/m1/s1

InChIKey

WYDXSPKPVNSYKS-QZTJIDSGSA-N

Chemical Structure

2D Structure

CAS: 139356-38-0

CID: 10993157

Formula: C20H41ClO2Si2

MW: 405.2

Interactive 3D Structure

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Computed Properties

Property	Value
Molecular Weight	405.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	7
Exact Mass	404.2333613
Monoisotopic Mass	404.2333613
Topological Polar Surface Area	18.5 Å²
Heavy Atom Count	25
Formal Charge	0
Complexity	435
Isotope Atom Count	0
Defined Atom Stereocenter Count	2
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes