Products for Research Use Only
RegisterLogin

Ibuprofen Isopropyl Ester

CAT: 0024-sc-488043Size: 1 gDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0024-sc-488043Size:1 g
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
64622-17-9

Chemical Information

1-Methylethyl alpha-methyl-4-(2-methylpropyl)benzeneacetate
CAS Number64622-17-9
PubChem CID11139492
IUPAC Namepropan-2-yl 2-[4-(2-methylpropyl)phenyl]propanoate
Molecular FormulaC16H24O2
Molecular Weight248.36
XLogP4.6
Topological Polar Surface Area26.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count6
Heavy Atom Count18
Formal Charge0
Complexity250
SMILES
CC(C)CC1=CC=C(C=C1)C(C)C(=O)OC(C)C
InChI
InChI=1S/C16H24O2/c1-11(2)10-14-6-8-15(9-7-14)13(5)16(17)18-12(3)4/h6-9,11-13H,10H2,1-5H3
InChIKey
RVZWLHIFEPTVBC-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-Methylethyl alpha-methyl-4-(2-methylpropyl)benzeneacetate
CAS: 64622-17-9
CID: 11139492
Formula: C16H24O2
MW: 248.36
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight248.36
XLogP34.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count6
Exact Mass248.177630004
Monoisotopic Mass248.177630004
Topological Polar Surface Area26.3 Ų
Heavy Atom Count18
Formal Charge0
Complexity250
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
sc-491167Ibuprofen Ethyl Ester
sc-491168(±) -Ibuprofen Methyl Ester
sc-491168A(±) -Ibuprofen Methyl Ester
sc-491166Rac-Ibuprofen Carboxymethyl Ester
sc-358886AZK118182 isopropyl ester
sc-358886ZK118182 isopropyl ester
sc-221548BDiphenylphosphine isopropyl ester
sc-205537AUnoprostone isopropyl ester
sc-503254Balsalazide Isopropyl Ester
sc-205537Unoprostone isopropyl ester

Alternative Products

CatalogName
TRC-I140090-1GIbuprofen Isopropyl Ester
AR-I03039-01(S) -Ibuprofen Isopropyl Ester
AR-I03043-01Ibuprofen Isopropyl Ester (R Isomer)
AR-I01095-01Isopropyl Ibuprofen
452164-01(±) -Ibuprofen Methyl Ester
TRC-I140210-1GIbuprofen PEG Ester
AR-I01082-01Ibuprofen Methyl Ester
FI157493-01Ibuprofen sorbitan ester
574742Ibuprofen ethyl ester
RM-I210424-01Ibuprofen Pseudoephedrine Ester

Popular Products