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Amafolone

CAT: 0931-T29945-02Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T29945-02Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
50588-47-1
Target
Others
Related Pathways
Others
Bioactivity
Amafolone is a biochemical.
Smiles
[H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])C[C@H](N)[C@@H](O)C[C@]12C
Molecular Formula
C19H31NO2
Molecular Weight
305.462
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Amafolone

Amafolone is an androstanoid.

CAS Number50588-47-1
PubChem CID40112
IUPAC Name(2S,3S,5S,8R,9S,10S,13S,14S)-3-amino-2-hydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-one
Molecular FormulaC19H31NO2
Molecular Weight305.5
XLogP2.5
Topological Polar Surface Area63.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Heavy Atom Count22
Formal Charge0
Complexity492
SMILES
C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)CC[C@@H]4[C@@]3(C[C@@H]([C@H](C4)N)O)C
InChI
InChI=1S/C19H31NO2/c1-18-8-7-14-12(13(18)5-6-17(18)22)4-3-11-9-15(20)16(21)10-19(11,14)2/h11-16,21H,3-10,20H2,1-2H3/t11-,12-,13-,14-,15-,16-,18-,19-/m0/s1
InChIKey
QPRBHGIRKWZUFJ-PPMYXAGCSA-N
Chemical Structure
2D Structure
2D structure of Amafolone
CAS: 50588-47-1
CID: 40112
Formula: C19H31NO2
MW: 305.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight305.5
XLogP32.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Exact Mass305.235479232
Monoisotopic Mass305.235479232
Topological Polar Surface Area63.3 Ų
Heavy Atom Count22
Formal Charge0
Complexity492
Isotope Atom Count0
Defined Atom Stereocenter Count8
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
MBS5779571Amafolone

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