Products for Research Use Only
RegisterLogin

HG-7-86-01

CAT: 0607-BA8810-25Size: 25 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0607-BA8810-25Size:25 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
1258391-14-8
Form
A solid
Molecular Formula
C28H21F3N6O2S
Molecular Weight
562.57
Shipping Conditions
Blue ice
Storage Conditions
-20°C.

Chemical Information

CID 49838489
CAS Number1258391-14-8
PubChem CID49838489
IUPAC Name3-[2-(cyclopropanecarbonylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]benzamide
Molecular FormulaC28H21F3N6O2S
Molecular Weight562.6
XLogP5.1
Topological Polar Surface Area130
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count6
Heavy Atom Count40
Formal Charge0
Complexity938
SMILES
CC1=CN(C=N1)C2=CC(=CC(=C2)NC(=O)C3=CC=CC(=C3)C4=NC5=C(C=C4)N=C(S5)NC(=O)C6CC6)C(F)(F)F
InChI
InChI=1S/C28H21F3N6O2S/c1-15-13-37(14-32-15)21-11-19(28(29,30)31)10-20(12-21)33-25(39)18-4-2-3-17(9-18)22-7-8-23-26(34-22)40-27(35-23)36-24(38)16-5-6-16/h2-4,7-14,16H,5-6H2,1H3,(H,33,39)(H,35,36,38)
InChIKey
WMVALYUTDLLBRA-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of CID 49838489
CAS: 1258391-14-8
CID: 49838489
Formula: C28H21F3N6O2S
MW: 562.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight562.6
XLogP35.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count6
Exact Mass562.13987959
Monoisotopic Mass562.13987959
Topological Polar Surface Area130 Ų
Heavy Atom Count40
Formal Charge0
Complexity938
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

CatalogName
BA3283-10HG-7-85-01
BA3283-5HG-7-85-01
BA3283-25HG-7-85-01
B1262-5HG-10-102-01
B1262-10HG-10-102-01
B1262-25HG-10-102-01
B1052-2HG-9-91-01
B1052-5HG-9-91-01
B1262-50HG-10-102-01
B1262-5.1HG-10-102-01

Alternative Products

CatalogName
BUP21098-01HG-7-86-01
BUP21086-01HG-7-85-01
M10475HG-7-27-01
GTR19163867-01HG-7-92-01
HY-131178-01HG-7-85-01-NH2
T18594-01HG-7-85-01-Decyclopropane
M20640-01HG-10-102-01
HY-15776-01HG-9-91-01
2604-25HG-10-012-01

Popular Products