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Pomalidomide 4-alkylC6-acid

CAT: 0498-bs-7203C-01Size: 2 mgDry Ice: NoHazardous: No
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CAT#:0498-bs-7203C-01Size:2 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2225940-50-9
Conjugation
Unconjugated
Purity
98
Buffer
Powder
Solubility
Soluble in DMSO
Smiles
OC(=O)CCCCCCNC1C=CC=C2C=1C(=O)N(C1CCC(=O)NC1=O)C2=O
Molecular Formula
C20 H23 N3 O6
Molecular Weight
401.41
InChI
InChI=1S/C20H23N3O6/c24-15-10-9-14 (18 (27) 22-15) 23-19 (28) 12-6-5-7-13 (17 (12) 20 (23) 29) 21-11-4-2-1-3-8-16 (25) 26/h5-7,14,21H,1-4,8-11H2, (H,25,26) (H,22,24,27)
Storage Conditions
Store in dry, dark place at -20C for 1 year.
Shelf Life
1 year
Appearance
Solid Power.

Chemical Information

7-((2-(2,6-Dioxopiperidin-3-yl)-1,3-dioxoisoindolin-4-yl)amino)heptanoic acid
CAS Number2225940-50-9
PubChem CID134589631
IUPAC Name7-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]heptanoic acid
Molecular FormulaC20H23N3O6
Molecular Weight401.4
XLogP2
Topological Polar Surface Area133
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count9
Heavy Atom Count29
Formal Charge0
Complexity694
SMILES
C1CC(=O)NC(=O)C1N2C(=O)C3=C(C2=O)C(=CC=C3)NCCCCCCC(=O)O
InChI
InChI=1S/C20H23N3O6/c24-15-10-9-14(18(27)22-15)23-19(28)12-6-5-7-13(17(12)20(23)29)21-11-4-2-1-3-8-16(25)26/h5-7,14,21H,1-4,8-11H2,(H,25,26)(H,22,24,27)
InChIKey
USOIUAJFCJMMOE-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 7-((2-(2,6-Dioxopiperidin-3-yl)-1,3-dioxoisoindolin-4-yl)amino)heptanoic acid
CAS: 2225940-50-9
CID: 134589631
Formula: C20H23N3O6
MW: 401.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight401.4
XLogP32
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count9
Exact Mass401.15868546
Monoisotopic Mass401.15868546
Topological Polar Surface Area133 Ų
Heavy Atom Count29
Formal Charge0
Complexity694
Isotope Atom Count0
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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