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Modafinil-d10 Carboxylate

CAT: 0572-TRC-M482513-100MGSize: 100 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-M482513-100MGSize:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1246819-82-8
Synonyms
2-[(Diphenyl-methyl)sulfinyl-d10]acetic Acid; Modafinil Acid-d10; Modafinic Acid-d10;
Hazard Statement
No Data Available
Purity
>95% (HPLC)
Smiles
[2H]C1=C(C(=C(C(=C1[2H])[2H])C(C2=C(C(=C(C(=C2[2H])[2H])[2H])[2H])[2H])S(=O)CC(=O)O)[2H])[2H]
Molecular Formula
C15H4D10O3S
Molecular Weight
284.4
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

Modafinil-d10 Carboxylate
CAS Number1246819-82-8
PubChem CID71750753
IUPAC Name2-[bis(2,3,4,5,6-pentadeuteriophenyl)methylsulfinyl]acetic acid
Molecular FormulaC15H14O3S
Molecular Weight284.40
XLogP2.4
Topological Polar Surface Area73.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Heavy Atom Count19
Formal Charge0
Complexity299
SMILES
[2H]C1=C(C(=C(C(=C1[2H])[2H])C(C2=C(C(=C(C(=C2[2H])[2H])[2H])[2H])[2H])S(=O)CC(=O)O)[2H])[2H]
InChI
InChI=1S/C15H14O3S/c16-14(17)11-19(18)15(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10,15H,11H2,(H,16,17)/i1D,2D,3D,4D,5D,6D,7D,8D,9D,10D
InChIKey
QARQPIWTMBRJFX-LHNTUAQVSA-N
Chemical Structure
2D Structure
2D structure of Modafinil-d10 Carboxylate
CAS: 1246819-82-8
CID: 71750753
Formula: C15H14O3S
MW: 284.40
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight284.40
XLogP32.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Exact Mass284.12913294
Monoisotopic Mass284.12913294
Topological Polar Surface Area73.6 Ų
Heavy Atom Count19
Formal Charge0
Complexity299
Isotope Atom Count10
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
CS-T-83426(S) -Modafinil-d10 Carboxylate
CS-T-83340(R) -Modafinil-d10 Carboxylate
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017712(R) -Modafinil-d10 Carboxylate discontinued
017713S-Modafinil-d10 Carboxylate discontinued
CS-T-83525(S) -Modafinil-d10 Carboxylate Methyl Ester
CS-T-83033(R) -Modafinil-d10 Carboxylate Methyl Ester
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