Products for Research Use Only
RegisterLogin

Neratinib-d6

CAT: 0926-JAC51918-02Size: 10 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0926-JAC51918-02Size:10 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
1259519-18-0
Smiles
CCOC1=C (C=C2C (=C1) N=CC (=C2NC3=CC (=C (C=C3) OCC4=CC=CC=N4) Cl) C#N) NC (=O) C=CCN (C) C
Molecular Formula
C30H29ClN6O3
Molecular Weight
563.1 g/mol
Controlled
No

Chemical Information

Neratinib-d6
CAS Number1259519-18-0
PubChem CID49870271
IUPAC Name(E)-4-[bis(trideuteriomethyl)amino]-N-[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]-3-cyano-7-ethoxyquinolin-6-yl]but-2-enamide
Molecular FormulaC30H29ClN6O3
Molecular Weight563.1
XLogP4.9
Topological Polar Surface Area112
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count11
Heavy Atom Count40
Formal Charge0
Complexity881
SMILES
[2H]C([2H])([2H])N(C/C=C/C(=O)NC1=C(C=C2C(=C1)C(=C(C=N2)C#N)NC3=CC(=C(C=C3)OCC4=CC=CC=N4)Cl)OCC)C([2H])([2H])[2H]
InChI
InChI=1S/C30H29ClN6O3/c1-4-39-28-16-25-23(15-26(28)36-29(38)9-7-13-37(2)3)30(20(17-32)18-34-25)35-21-10-11-27(24(31)14-21)40-19-22-8-5-6-12-33-22/h5-12,14-16,18H,4,13,19H2,1-3H3,(H,34,35)(H,36,38)/b9-7+/i2D3,3D3
InChIKey
JWNPDZNEKVCWMY-CJSPGLJTSA-N
Chemical Structure
2D Structure
2D structure of Neratinib-d6
CAS: 1259519-18-0
CID: 49870271
Formula: C30H29ClN6O3
MW: 563.1
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight563.1
XLogP34.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count11
Exact Mass562.2366270
Monoisotopic Mass562.2366270
Topological Polar Surface Area112 Ų
Heavy Atom Count40
Formal Charge0
Complexity881
Isotope Atom Count6
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

CatalogName
FN65101-01Neratinib
BN160240-01Neratinib maleate
BN164645Neratinib - Bio-X TM
UYB80274-01Bezafibrate-d6 (dimethyl-d6)
KGA22744-01(±) -Mdea-d6[ (±) -3,4-methylenedioxyethylamphetamine-d6]
NEA89208-01(±) -±-Tocopherol-D6 (Vitamin E-D6) solution
ZWB68349-01Vandetanib-d6
KBC91003-01Nisoldipine-d6
IVB22930-01Levetiracetam-d6
ICC27867-01Cariprazine-d6

Alternative Products

CatalogName
HY-32721SNeratinib-d6
2023-5Neratinib

Popular Products