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Madrasin

CAT: 0498-bs-6590C-02Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0498-bs-6590C-02Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
374913-63-0
Conjugation
Unconjugated
Purity
98
Buffer
Powder
Solubility
Soluble in DMSO
Smiles
COC1C=C2N=C(NC3NC(=O)C(C)=C(C)N=3)N=C(C)C2=CC=1
Molecular Formula
C16 H17 N5 O2
Molecular Weight
311.34
InChI
InChI=1S/C16H17N5O2/c1-8-9 (2) 17-16 (20-14 (8) 22) 21-15-18-10 (3) 12-6-5-11 (23-4) 7-13 (12) 19-15/h5-7H,1-4H3, (H2,17,18,19,20,21,22)
Storage Conditions
Store in dry, dark place at -20C for 1 year.
Shelf Life
1 year
Appearance
Solid Power

Chemical Information

Madrasin

2-[(7-methoxy-4-methyl-2-quinazolinyl)amino]-5,6-dimethyl-1H-pyrimidin-4-one is a member of quinazolines.

CAS Number374913-63-0
PubChem CID135444382
IUPAC Name2-[(7-methoxy-4-methylquinazolin-2-yl)amino]-4,5-dimethyl-1H-pyrimidin-6-one
Molecular FormulaC16H17N5O2
Molecular Weight311.34
XLogP1.7
Topological Polar Surface Area88.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Heavy Atom Count23
Formal Charge0
Complexity545
SMILES
CC1=C(N=C(NC1=O)NC2=NC(=C3C=CC(=CC3=N2)OC)C)C
InChI
InChI=1S/C16H17N5O2/c1-8-9(2)17-16(20-14(8)22)21-15-18-10(3)12-6-5-11(23-4)7-13(12)19-15/h5-7H,1-4H3,(H2,17,18,19,20,21,22)
InChIKey
QQJIYKXTEMDJFM-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Madrasin
CAS: 374913-63-0
CID: 135444382
Formula: C16H17N5O2
MW: 311.34
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight311.34
XLogP31.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Exact Mass311.13822480
Monoisotopic Mass311.13822480
Topological Polar Surface Area88.5 Ų
Heavy Atom Count23
Formal Charge0
Complexity545
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
B1278-25Madrasin
A16063-10Madrasin 10mg
A16063-5Madrasin 5mg
A16063-50Madrasin 50mg
A16063-25Madrasin 25mg
A16063-100Madrasin 100mg
A16063-1Madrasin 1mg
A16063-500Madrasin 500mg

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