DSR-141562

CAT: 0607-BA8182-5.1Size: 1 mL (10 mM in DMSO)Dry Ice: NoHazardous: No

1 / 1

CAT#:0607-BA8182-5.1Size:1 mL (10 mM in DMSO)

Selected

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

Quick Request Actions

CAS Number

2007975-22-4

Form

A solid

Molecular Formula

C19H25F3N4O3

Molecular Weight

414.42

Shipping Conditions

Blue ice

Storage Conditions

-20°C.

Chemical Information

3-Methyl-7-(oxan-4-yl)-2-[[4-(trifluoromethyl)cyclohexyl]methoxy]imidazo[5,1-f][1,2,4]triazin-4-one

CAS Number	2007975-22-4
PubChem CID	122540493
IUPAC Name	3-methyl-7-(oxan-4-yl)-2-[[4-(trifluoromethyl)cyclohexyl]methoxy]imidazo[5,1-f][1,2,4]triazin-4-one
Molecular Formula	C19H25F3N4O3
Molecular Weight	414.4
XLogP	3.4
Topological Polar Surface Area	69
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	4
Heavy Atom Count	29
Formal Charge	0
Complexity	631

SMILES

CN1C(=O)C2=CN=C(N2N=C1OCC3CCC(CC3)C(F)(F)F)C4CCOCC4

InChI

InChI=1S/C19H25F3N4O3/c1-25-17(27)15-10-23-16(13-6-8-28-9-7-13)26(15)24-18(25)29-11-12-2-4-14(5-3-12)19(20,21)22/h10,12-14H,2-9,11H2,1H3

InChIKey

LNELWUPBSLZUIQ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2007975-22-4

CID: 122540493

Formula: C19H25F3N4O3

MW: 414.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	414.4
XLogP3	3.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	4
Exact Mass	414.18787516
Monoisotopic Mass	414.18787516
Topological Polar Surface Area	69 Å²
Heavy Atom Count	29
Formal Charge	0
Complexity	631
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
MBS5785520-01	DSR-141562
MBS5753049	DSR-6434
4809/10	DSR 6434
HY-120321	DSR-71167
MBS1053255-01	Recombinant Desulforedoxin (dsr)