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S5A1

CAT: 0931-T83615-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0931-T83615-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2055882-51-2
Target
Others
Related Pathways
Others
Purity
>99.99%
Bioactivity
S5A1 is a synthetic steroid used in the study of diabetes.
Smiles
Cl.O=C(O)C1=CC=C(C=C1)N2C(=O)NC3(C2)CCN(CC4=CC(OCC)=C(C=C4C5CC5)C)CC3
Molecular Formula
C27H34ClN3O4
Molecular Weight
500.03
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

4-[8-[(2-Cyclopropyl-5-ethoxy-4-methylphenyl)methyl]-2-oxo-1,3,8-triazaspiro[4.5]decan-3-yl]benzoic acid;hydrochloride
CAS Number2055882-51-2
PubChem CID124138270
IUPAC Name4-[8-[(2-cyclopropyl-5-ethoxy-4-methylphenyl)methyl]-2-oxo-1,3,8-triazaspiro[4.5]decan-3-yl]benzoic acid;hydrochloride
Molecular FormulaC27H34ClN3O4
Molecular Weight500.0
Topological Polar Surface Area82.1
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count7
Heavy Atom Count35
Formal Charge0
Complexity740
SMILES
CCOC1=CC(=C(C=C1C)C2CC2)CN3CCC4(CC3)CN(C(=O)N4)C5=CC=C(C=C5)C(=O)O.Cl
InChI
InChI=1S/C27H33N3O4.ClH/c1-3-34-24-15-21(23(14-18(24)2)19-4-5-19)16-29-12-10-27(11-13-29)17-30(26(33)28-27)22-8-6-20(7-9-22)25(31)32;/h6-9,14-15,19H,3-5,10-13,16-17H2,1-2H3,(H,28,33)(H,31,32);1H
InChIKey
BEZJXXFODPBLGD-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-[8-[(2-Cyclopropyl-5-ethoxy-4-methylphenyl)methyl]-2-oxo-1,3,8-triazaspiro[4.5]decan-3-yl]benzoic acid;hydrochloride
CAS: 2055882-51-2
CID: 124138270
Formula: C27H34ClN3O4
MW: 500.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight500.0
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count7
Exact Mass499.2237843
Monoisotopic Mass499.2237843
Topological Polar Surface Area82.1 Ų
Heavy Atom Count35
Formal Charge0
Complexity740
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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