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BAR502

CAT: 1410-M21833-04Size: 25 mgDry Ice: NoHazardous: No
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CAT#:1410-M21833-04Size:25 mg
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Description
BAR502 is a truncated side chain alcohol with both substituents on ring B in α-configuration.
CAS Number
1612191-86-2
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
392.62
Molecular Formula
C₂₅H₄₄O₃
Notes
Research use only, not for human use.
Receptor
——

Chemical Information

(3R,5S,6R,7R,8S,9S,10S,13R,14S,17R)-6-ethyl-17-[(2R)-4-hydroxybutan-2-yl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,7-diol
CAS Number1612191-86-2
PubChem CID101886309
IUPAC Name(3R,5S,6R,7R,8S,9S,10S,13R,14S,17R)-6-ethyl-17-[(2R)-4-hydroxybutan-2-yl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,7-diol
Molecular FormulaC25H44O3
Molecular Weight392.6
XLogP5.5
Topological Polar Surface Area60.7
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Heavy Atom Count28
Formal Charge0
Complexity564
SMILES
CC[C@@H]1[C@@H]2C[C@@H](CC[C@@]2([C@H]3CC[C@]4([C@H]([C@@H]3[C@@H]1O)CC[C@@H]4[C@H](C)CCO)C)C)O
InChI
InChI=1S/C25H44O3/c1-5-17-21-14-16(27)8-11-25(21,4)20-9-12-24(3)18(15(2)10-13-26)6-7-19(24)22(20)23(17)28/h15-23,26-28H,5-14H2,1-4H3/t15-,16-,17-,18-,19+,20+,21+,22+,23-,24-,25-/m1/s1
InChIKey
HYCMOIGNYNCMRH-APIYUPOTSA-N
Chemical Structure
2D Structure
2D structure of (3R,5S,6R,7R,8S,9S,10S,13R,14S,17R)-6-ethyl-17-[(2R)-4-hydroxybutan-2-yl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,7-diol
CAS: 1612191-86-2
CID: 101886309
Formula: C25H44O3
MW: 392.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight392.6
XLogP35.5
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Exact Mass392.32904526
Monoisotopic Mass392.32904526
Topological Polar Surface Area60.7 Ų
Heavy Atom Count28
Formal Charge0
Complexity564
Isotope Atom Count0
Defined Atom Stereocenter Count11
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
BA3665-25BAR502
AR-C07353-01BAR502-d5
A20433-10BAR502 10mg
A20433-5BAR502 5mg
A20433-200BAR502 200mg
A20433-100BAR502 100mg
A20433-50BAR502 50mg
A20433-25BAR502 25mg
A20433-1BAR502 1mg

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