Voriconazole Impurity R

CAT: 1299-RM-V180318-01Size: 10 mgDry Ice: NoHazardous: No

1 / 1

CAT#:1299-RM-V180318-01Size:10 mg

Selected

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

Quick Request Actions

CAS Number

239807-04-6

Synonyms

(2S,3S) -2- (2,4-difluorophenyl) -3- (5-fluoropyrimidin-4-yl) -1- (1H-1,2,4-triazol-1-yl) butan-2-ol

Molecular Formula

C16H14F3N5O

Molecular Weight

349.31

Target Alternative Name

Voriconazole

Product Name Synonym

(2S,3S) -2- (2,4-difluorophenyl) -3- (5-fluoropyrimidin-4-yl) -1- (1H-1,2,4-triazol-1-yl) butan-2-ol

Chemical Information

Voriconazole Impurity R

(2S,3S)-2-(2,4-difluorophenyl)-3-(5-fluoro-4-pyrimidinyl)-1-(1,2,4-triazol-1-yl)-2-butanol is an alkylbenzene.

CAS Number	239807-04-6
PubChem CID	42052020
IUPAC Name	(2S,3S)-2-(2,4-difluorophenyl)-3-(5-fluoropyrimidin-4-yl)-1-(1,2,4-triazol-1-yl)butan-2-ol
Molecular Formula	C16H14F3N5O
Molecular Weight	349.31
XLogP	1.5
Topological Polar Surface Area	76.7
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	5
Heavy Atom Count	25
Formal Charge	0
Complexity	448

SMILES

C[C@@H](C1=NC=NC=C1F)[C@@](CN2C=NC=N2)(C3=C(C=C(C=C3)F)F)O

InChI

InChI=1S/C16H14F3N5O/c1-10(15-14(19)5-20-7-22-15)16(25,6-24-9-21-8-23-24)12-3-2-11(17)4-13(12)18/h2-5,7-10,25H,6H2,1H3/t10-,16-/m0/s1

InChIKey

BCEHBSKCWLPMDN-QFYYESIMSA-N

Chemical Structure

2D Structure

CAS: 239807-04-6

CID: 42052020

Formula: C16H14F3N5O

MW: 349.31

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	349.31
XLogP3	1.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	5
Exact Mass	349.11504457
Monoisotopic Mass	349.11504457
Topological Polar Surface Area	76.7 Å²
Heavy Atom Count	25
Formal Charge	0
Complexity	448
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