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MRX-2843 5mg

CAT: 0628-A16958-5Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0628-A16958-5Size:5 mg
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CAS Number
1429882-07-4

Chemical Information

4-(2-(2-Cyclopropylethylamino)-5-(4-((4-methylpiperazin-1-yl)methyl)phenyl)pyrrolo(2,3-d)pyrimidin-7-yl)cyclohexan-1-ol

See also: Mrx-2843 (annotation moved to).

CAS Number1429882-07-4
PubChem CID89495685
IUPAC Name4-[2-(2-cyclopropylethylamino)-5-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyrrolo[2,3-d]pyrimidin-7-yl]cyclohexan-1-ol
Molecular FormulaC29H40N6O
Molecular Weight488.7
XLogP4.2
Topological Polar Surface Area69.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count8
Heavy Atom Count36
Formal Charge0
Complexity681
SMILES
CN1CCN(CC1)CC2=CC=C(C=C2)C3=CN(C4=NC(=NC=C34)NCCC5CC5)C6CCC(CC6)O
InChI
InChI=1S/C29H40N6O/c1-33-14-16-34(17-15-33)19-22-4-6-23(7-5-22)27-20-35(24-8-10-25(36)11-9-24)28-26(27)18-31-29(32-28)30-13-12-21-2-3-21/h4-7,18,20-21,24-25,36H,2-3,8-17,19H2,1H3,(H,30,31,32)
InChIKey
LBEJYFVJIPQSNX-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-(2-(2-Cyclopropylethylamino)-5-(4-((4-methylpiperazin-1-yl)methyl)phenyl)pyrrolo(2,3-d)pyrimidin-7-yl)cyclohexan-1-ol
CAS: 1429882-07-4
CID: 89495685
Formula: C29H40N6O
MW: 488.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight488.7
XLogP34.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count8
Exact Mass488.32635992
Monoisotopic Mass488.32635992
Topological Polar Surface Area69.5 Ų
Heavy Atom Count36
Formal Charge0
Complexity681
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

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Alternative Products

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BA8961-5MRX-2843
HY-101549RMRX-2843 (Standard)
HY-101549AMRX-2843 (hydrochloride)
AR-M05234-01MRX-2843-d8

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