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CRT0066854

CAT: 0607-BA4484-1Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0607-BA4484-1Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1438881-19-6
Form
A solid
Molecular Formula
C24H25N5S
Molecular Weight
415.55
Shipping Conditions
Blue ice
Storage Conditions
-20°C.

Chemical Information

(2s)-3-Phenyl-N~1~-[2-(Pyridin-4-Yl)-5,6,7,8-Tetrahydro[1]benzothieno[2,3-D]pyrimidin-4-Yl]propane-1,2-Diamine
CAS Number1438881-19-6
PubChem CID70702288
IUPAC Name(2S)-3-phenyl-1-N-(2-pyridin-4-yl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)propane-1,2-diamine
Molecular FormulaC24H25N5S
Molecular Weight415.6
XLogP4.8
Topological Polar Surface Area105
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Heavy Atom Count30
Formal Charge0
Complexity536
SMILES
C1CCC2=C(C1)C3=C(N=C(N=C3S2)C4=CC=NC=C4)NC[C@H](CC5=CC=CC=C5)N
InChI
InChI=1S/C24H25N5S/c25-18(14-16-6-2-1-3-7-16)15-27-23-21-19-8-4-5-9-20(19)30-24(21)29-22(28-23)17-10-12-26-13-11-17/h1-3,6-7,10-13,18H,4-5,8-9,14-15,25H2,(H,27,28,29)/t18-/m0/s1
InChIKey
NRHASZRDWOUMFD-SFHVURJKSA-N
Chemical Structure
2D Structure
2D structure of (2s)-3-Phenyl-N~1~-[2-(Pyridin-4-Yl)-5,6,7,8-Tetrahydro[1]benzothieno[2,3-D]pyrimidin-4-Yl]propane-1,2-Diamine
CAS: 1438881-19-6
CID: 70702288
Formula: C24H25N5S
MW: 415.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight415.6
XLogP34.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Exact Mass415.18306699
Monoisotopic Mass415.18306699
Topological Polar Surface Area105 Ų
Heavy Atom Count30
Formal Charge0
Complexity536
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

Alternative Products

CatalogName
GTR19197836-01CRT0066854
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M32867-01CRT0066854 hydrochloride
HY-18713A-01CRT0066854 (hydrochloride)
A24490-10CRT0066854 10mg
A24490-100CRT0066854 100mg
A24490-5CRT0066854 5mg

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