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Purvalanol A 5mg

CAT: 0628-A15517-5Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0628-A15517-5Size:5 mg
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CAS Number
212844-53-6

Chemical Information

Purvalanol A

Purvalanol A is a purvalanol.

CAS Number212844-53-6
PubChem CID456214
IUPAC Name(2R)-2-[[6-(3-chloroanilino)-9-propan-2-ylpurin-2-yl]amino]-3-methylbutan-1-ol
Molecular FormulaC19H25ClN6O
Molecular Weight388.9
XLogP4.3
Topological Polar Surface Area87.9
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count7
Heavy Atom Count27
Formal Charge0
Complexity467
SMILES
CC(C)[C@H](CO)NC1=NC(=C2C(=N1)N(C=N2)C(C)C)NC3=CC(=CC=C3)Cl
InChI
InChI=1S/C19H25ClN6O/c1-11(2)15(9-27)23-19-24-17(22-14-7-5-6-13(20)8-14)16-18(25-19)26(10-21-16)12(3)4/h5-8,10-12,15,27H,9H2,1-4H3,(H2,22,23,24,25)/t15-/m0/s1
InChIKey
PMXCMJLOPOFPBT-HNNXBMFYSA-N
Chemical Structure
2D Structure
2D structure of Purvalanol A
CAS: 212844-53-6
CID: 456214
Formula: C19H25ClN6O
MW: 388.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight388.9
XLogP34.3
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count7
Exact Mass388.1778371
Monoisotopic Mass388.1778371
Topological Polar Surface Area87.9 Ų
Heavy Atom Count27
Formal Charge0
Complexity467
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

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A15517-100Purvalanol A 100mg
A15517-25Purvalanol A 25mg
A15517-50Purvalanol A 50mg
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A12352-100Purvalanol B 100mg
A12352-50Purvalanol B 50mg
A12352-1Purvalanol B 1mg
A12352-200Purvalanol B 200mg
A12352-25Purvalanol B 25mg

Alternative Products

CatalogName
T2059-01Purvalanol A

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