Products for Research Use Only
RegisterLogin

AF-398

CAT: 0931-T29684-03Size: 100 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0931-T29684-03Size:100 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
60439-45-4
Target
Others
Related Pathways
Others
Bioactivity
AF-398 is a biochemical.
Smiles
O=C(OC(C)CCN1CCOCC1)C2=CC(OC)=C(OC)C(OC)=C2
Molecular Formula
C18H27NO6
Molecular Weight
353.41
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

AF-398
CAS Number60439-45-4
PubChem CID43266
IUPAC Name4-morpholin-4-ylbutan-2-yl 3,4,5-trimethoxybenzoate
Molecular FormulaC18H27NO6
Molecular Weight353.4
XLogP2.1
Topological Polar Surface Area66.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count7
Rotatable Bond Count9
Heavy Atom Count25
Formal Charge0
Complexity387
SMILES
CC(CCN1CCOCC1)OC(=O)C2=CC(=C(C(=C2)OC)OC)OC
InChI
InChI=1S/C18H27NO6/c1-13(5-6-19-7-9-24-10-8-19)25-18(20)14-11-15(21-2)17(23-4)16(12-14)22-3/h11-13H,5-10H2,1-4H3
InChIKey
HGLBNWHEUMEGLM-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of AF-398
CAS: 60439-45-4
CID: 43266
Formula: C18H27NO6
MW: 353.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight353.4
XLogP32.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count7
Rotatable Bond Count9
Exact Mass353.18383758
Monoisotopic Mass353.18383758
Topological Polar Surface Area66.5 Ų
Heavy Atom Count25
Formal Charge0
Complexity387
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

CatalogName
T88266-01SN-398
T9997-01GLL 398
T3214-01NS-398
T202698-01AF-615
T23646-01AF 399
T2087-01AF-353
T23649-01AF-710B
T69384-01AF-013
T210271-01AF-45
T23648-01AF-2785

Alternative Products

CatalogName
GTR19195886-01AF-398
366904NS-398 (NS398, NS 398)
MBS131365NS-398 (NS 398; NS398)
B6514-100NS 398
MBS3600951-01NS-398
MBS3617509-01GLL 398
ARC0866SNU-398
TRC-J211900-10MGJWH-398
TRC-B367000-10MGBGJ 398
HY-158230SN-398

Popular Products