Suzetrigine Impurity 7

CAT: 1299-RM-S452007-01Size: 10 mgDry Ice: NoHazardous: No

1 / 1

CAT#:1299-RM-S452007-01Size:10 mg

Selected

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

Quick Request Actions

CAS Number

2875066-46-7

Synonyms

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

Molecular Formula

C16H17F5O4

Molecular Weight

368.3

Target Alternative Name

Suzetrigine

Chemical Information

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

CAS Number	2875066-46-7
PubChem CID	166159248
IUPAC Name	[(3S,4S,5R)-3-(3,4-difluoro-2-methoxyphenyl)-4,5-dimethyl-5-(trifluoromethyl)oxolan-2-yl] acetate
Molecular Formula	C16H17F5O4
Molecular Weight	368.29
XLogP	4
Topological Polar Surface Area	44.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	9
Rotatable Bond Count	4
Heavy Atom Count	25
Formal Charge	0
Complexity	499

SMILES

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

InChI

InChI=1S/C16H17F5O4/c1-7-11(9-5-6-10(17)12(18)13(9)23-4)14(24-8(2)22)25-15(7,3)16(19,20)21/h5-7,11,14H,1-4H3/t7-,11-,14?,15+/m0/s1

InChIKey

NXMVCXZLENIEFX-BDVQALLUSA-N

Chemical Structure

2D Structure

CAS: 2875066-46-7

CID: 166159248

Formula: C16H17F5O4

MW: 368.29

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	368.29
XLogP3	4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	9
Rotatable Bond Count	4
Exact Mass	368.10469983
Monoisotopic Mass	368.10469983
Topological Polar Surface Area	44.8 Å²
Heavy Atom Count	25
Formal Charge	0
Complexity	499
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