Products for Research Use Only
RegisterLogin

UNC 1025

CAT: 0926-AEC54936-01Size: 5 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0926-AEC54936-01Size:5 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
1350549-36-8
MDL Number
MFCD31618425
Smiles
CCCCNC1=NC=C2C (=NN (C2=N1) C3CCC (CC3) O) C4=CC=C (C=C4) S (=O) (=O) N5CCOCC5
Molecular Formula
C25H34N6O4S
Molecular Weight
514.6 g/mol
Controlled
No

Chemical Information

Cyclohexanol, 4-(6-(butylamino)-3-(4-(4-morpholinylsulfonyl)phenyl)-1H-pyrazolo(3,4-d)pyrimidin-1-yl)-, trans-
CAS Number1350549-36-8
PubChem CID68212798
IUPAC Name4-[6-(butylamino)-3-(4-morpholin-4-ylsulfonylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]cyclohexan-1-ol
Molecular FormulaC25H34N6O4S
Molecular Weight514.6
XLogP2.7
Topological Polar Surface Area131
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count8
Heavy Atom Count36
Formal Charge0
Complexity791
SMILES
CCCCNC1=NC=C2C(=NN(C2=N1)C3CCC(CC3)O)C4=CC=C(C=C4)S(=O)(=O)N5CCOCC5
InChI
InChI=1S/C25H34N6O4S/c1-2-3-12-26-25-27-17-22-23(29-31(24(22)28-25)19-6-8-20(32)9-7-19)18-4-10-21(11-5-18)36(33,34)30-13-15-35-16-14-30/h4-5,10-11,17,19-20,32H,2-3,6-9,12-16H2,1H3,(H,26,27,28)
InChIKey
KAAPXWSYROPAEL-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Cyclohexanol, 4-(6-(butylamino)-3-(4-(4-morpholinylsulfonyl)phenyl)-1H-pyrazolo(3,4-d)pyrimidin-1-yl)-, trans-
CAS: 1350549-36-8
CID: 68212798
Formula: C25H34N6O4S
MW: 514.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight514.6
XLogP32.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count8
Exact Mass514.23622476
Monoisotopic Mass514.23622476
Topological Polar Surface Area131 Ų
Heavy Atom Count36
Formal Charge0
Complexity791
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

Related Products

CatalogName
IAD60221TES-1025
BU167099-01UNC 2881
BHC15253UNC 2327
AEC54765-01UNC 569
FU137732-01UNC 0379
BU167832-01UNC 4203
FC166267-01UNC 3230
JXB13610-01UNC-926
IHC20049-01UNC 2400
FU137733-01UNC 2025

Alternative Products

CatalogName
T60197-01UNC 1025
2351-1NU 1025
MBS3615453-01TES-1025

Popular Products