Suzetrigine Impurity 5

CAT: 1299-RM-S452005-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-S452005-01Size:10 mg

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

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CAS Number

3041980-36-0

Synonyms

(3S,4S,5R) -3- (3,4-difluoro-2-methoxyphenyl) -4,5-dimethyl-5- (trifluoromethyl) tetrahydrofuran-2-ol

Molecular Formula

C14H15F5O3

Molecular Weight

326.26

Target Alternative Name

Suzetrigine

Chemical Information

(3S,4S,5R)-3-(3,4-difluoro-2-methoxyphenyl)-4,5-dimethyl-5-(trifluoromethyl)oxolan-2-ol

CAS Number	3041980-36-0
PubChem CID	167251679
IUPAC Name	(3S,4S,5R)-3-(3,4-difluoro-2-methoxyphenyl)-4,5-dimethyl-5-(trifluoromethyl)oxolan-2-ol
Molecular Formula	C14H15F5O3
Molecular Weight	326.26
XLogP	3.4
Topological Polar Surface Area	38.7
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	2
Heavy Atom Count	22
Formal Charge	0
Complexity	404

SMILES

C[C@H]1[C@H](C(O[C@@]1(C)C(F)(F)F)O)C2=C(C(=C(C=C2)F)F)OC

InChI

InChI=1S/C14H15F5O3/c1-6-9(12(20)22-13(6,2)14(17,18)19)7-4-5-8(15)10(16)11(7)21-3/h4-6,9,12,20H,1-3H3/t6-,9-,12?,13+/m0/s1

InChIKey

UMTVGRFGDHDOLQ-YSQQIJLFSA-N

Chemical Structure

2D Structure

CAS: 3041980-36-0

CID: 167251679

Formula: C14H15F5O3

MW: 326.26

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	326.26
XLogP3	3.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	2
Exact Mass	326.09413515
Monoisotopic Mass	326.09413515
Topological Polar Surface Area	38.7 Å²
Heavy Atom Count	22
Formal Charge	0
Complexity	404
Isotope Atom Count	0
Defined Atom Stereocenter Count	3
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes