Products for Research Use Only
RegisterLogin

BrAAM

CAT: 0931-T29265-03Size: 50 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0931-T29265-03Size:50 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
76298-89-0
Target
Others
Related Pathways
Others
Bioactivity
1- (2-Allylphenoxy) -3- ((8-bromoacetylamino-4-menthane-1-yl) amino) -1-propanol is a bioactive chemical.
Smiles
CC(C)(NC(=O)CBr)C1CCC(C)(CC1)NCC(O)COc1ccccc1CC=C
Molecular Formula
C24H37BrN2O3
Molecular Weight
481.47
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

2-Bromo-N-(1-(4-((2-hydroxy-3-(2-(2-propen-1-yl)phenoxy)propyl)amino)-4-methylcyclohexyl)-1-methylethyl)acetamide

irreversibly inactivates the dihydroalprenolol binding site; alprenolol analog; isopropylamino group of alprenolol replaced by 8-bromoacetylamino-1-amino-p-menthane moiety in the 1 position; structure given in first source

CAS Number76298-89-0
PubChem CID127126
IUPAC Name2-bromo-N-[2-[4-[[2-hydroxy-3-(2-prop-2-enylphenoxy)propyl]amino]-4-methylcyclohexyl]propan-2-yl]acetamide
Molecular FormulaC24H37BrN2O3
Molecular Weight481.5
XLogP4.7
Topological Polar Surface Area70.6
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count11
Heavy Atom Count30
Formal Charge0
Complexity547
SMILES
CC1(CCC(CC1)C(C)(C)NC(=O)CBr)NCC(COC2=CC=CC=C2CC=C)O
InChI
InChI=1S/C24H37BrN2O3/c1-5-8-18-9-6-7-10-21(18)30-17-20(28)16-26-24(4)13-11-19(12-14-24)23(2,3)27-22(29)15-25/h5-7,9-10,19-20,26,28H,1,8,11-17H2,2-4H3,(H,27,29)
InChIKey
UAXZWLFRPNDCMX-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Bromo-N-(1-(4-((2-hydroxy-3-(2-(2-propen-1-yl)phenoxy)propyl)amino)-4-methylcyclohexyl)-1-methylethyl)acetamide
CAS: 76298-89-0
CID: 127126
Formula: C24H37BrN2O3
MW: 481.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight481.5
XLogP34.7
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count11
Exact Mass480.19876
Monoisotopic Mass480.19876
Topological Polar Surface Area70.6 Ų
Heavy Atom Count30
Formal Charge0
Complexity547
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

Alternative Products

CatalogName
GTR19196062-01BrAAM
163132Cis-BrAAM

Popular Products