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SM04554

CAT: 0498-bs-6946C-01Size: 2 mgDry Ice: NoHazardous: No
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CAT#:0498-bs-6946C-01Size:2 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1360540-81-3
Conjugation
Unconjugated
Purity
98
Buffer
Powder
Solubility
Soluble in DMSO
Smiles
O=C(CCC(=O)C1=CC2OCCOC=2C=C1)C1C=CC=CC=1
Molecular Formula
C18 H16 O4
Molecular Weight
296.32
InChI
InChI=1S/C18H16O4/c19-15 (13-4-2-1-3-5-13) 7-8-16 (20) 14-6-9-17-18 (12-14) 22-11-10-21-17/h1-6,9,12H,7-8,10-11H2
Storage Conditions
Store in dry, dark place at -20C for 1 year.
Shelf Life
1 year
Appearance
Solid Power.

Chemical Information

Dalosirvat

Dalosirvat is under investigation in clinical trial NCT03742518 (A Study Evaluating the Efficacy and Safety of SM04554 Topical Solution in Male Subjects With Androgenetic Alopecia).

CAS Number1360540-81-3
PubChem CID56837361
IUPAC Name1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-phenylbutane-1,4-dione
Molecular FormulaC18H16O4
Molecular Weight296.3
XLogP1.8
Topological Polar Surface Area52.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Heavy Atom Count22
Formal Charge0
Complexity400
SMILES
C1COC2=C(O1)C=CC(=C2)C(=O)CCC(=O)C3=CC=CC=C3
InChI
InChI=1S/C18H16O4/c19-15(13-4-2-1-3-5-13)7-8-16(20)14-6-9-17-18(12-14)22-11-10-21-17/h1-6,9,12H,7-8,10-11H2
InChIKey
AOCDRSSVFUCURK-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Dalosirvat
CAS: 1360540-81-3
CID: 56837361
Formula: C18H16O4
MW: 296.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight296.3
XLogP31.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Exact Mass296.10485899
Monoisotopic Mass296.10485899
Topological Polar Surface Area52.6 Ų
Heavy Atom Count22
Formal Charge0
Complexity400
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
558677SM04554

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