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Aumitin

CAT: 0127-BUP12691-06Size: 200 mgDry Ice: NoHazardous: No
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CAT#:0127-BUP12691-06Size:200 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
946293-78-3
Purity
=98%
Smiles
Cc1cc(Nc2ccccc2)nc(Nc2ccc(NC(=O)c3ccccc3Cl)cc2)n1

Chemical Information

Aumitin
CAS Number946293-78-3
PubChem CID27478481
IUPAC NameN-[4-[(4-anilino-6-methylpyrimidin-2-yl)amino]phenyl]-2-chlorobenzamide
Molecular FormulaC24H20ClN5O
Molecular Weight429.9
XLogP5.8
Topological Polar Surface Area78.9
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Heavy Atom Count31
Formal Charge0
Complexity564
SMILES
CC1=CC(=NC(=N1)NC2=CC=C(C=C2)NC(=O)C3=CC=CC=C3Cl)NC4=CC=CC=C4
InChI
InChI=1S/C24H20ClN5O/c1-16-15-22(27-17-7-3-2-4-8-17)30-24(26-16)29-19-13-11-18(12-14-19)28-23(31)20-9-5-6-10-21(20)25/h2-15H,1H3,(H,28,31)(H2,26,27,29,30)
InChIKey
VJNNQBDSUIVCKB-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Aumitin
CAS: 946293-78-3
CID: 27478481
Formula: C24H20ClN5O
MW: 429.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight429.9
XLogP35.8
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Exact Mass429.1356380
Monoisotopic Mass429.1356380
Topological Polar Surface Area78.9 Ų
Heavy Atom Count31
Formal Charge0
Complexity564
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
564424Aumitin
A18838-200Aumitin 200mg
A18838-10Aumitin 10mg
A18838-25Aumitin 25mg
A18838-5Aumitin 5mg
A18838-1Aumitin 1mg
A18838-100Aumitin 100mg
A18838-50Aumitin 50mg
A18838-10mM-DAumitin 10mM * 1mL in DMSO

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