CAS RN: 1134803-18-1
Genfatinib-d3 (IMatinib-d3)
Product Availability
Available package options are listed below.
1 package records1 with current stock
| Batch No. | Package | Availability | Inquiry |
|---|---|---|---|
| Batchno.20250224 | 1mg | In stock | Inquiry |
- Product code: starshine_CAS1134803-18-1
- Purity/Analytical Methods: >99.0%
1134803-18-1 / N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]-4-[[4-(trideuteriomethyl)piperazin-1-yl]methyl]benzamide
Imatinib | N-(4-Methyl-3-((4-(pyridin-3-yl)pyrimidin-2-yl)amino)phenyl)-4-((4-methylpiperazin-1-yl)methyl)benzamide | Glamox
Basic Information
CAS
1134803-18-1
Multi CAS
Yes
Molecular Formula
C29H31N7O
Molecular Weight
496.600000
Exact Mass
496.277839
SMILES
[2H]C([2H])([2H])N1CCN(CC1)CC2=CC=C(C=C2)C(=O)NC3=CC(=C(C=C3)C)NC4=NC=CC(=N4)C5=CN=CC=C5
InChI
InChI=1S/C29H31N7O/c1-21-5-10-25(18-27(21)34-29-31-13-11-26(33-29)24-4-3-12-30-19-24)32-28(37)23-8-6-22(7-9-23)20-36-16-14-35(2)15-17-36/h3-13,18-19H,14-17,20H2,1-2H3,(H,32,37)(H,31,33,34)/i2D3
InChIKey
KTUFNOKKBVMGRW-BMSJAHLVSA-N
Synonyms
Imatinib
N-(4-Methyl-3-((4-(pyridin-3-yl)pyrimidin-2-yl)amino)phenyl)-4-((4-methylpiperazin-1-yl)methyl)benzamide
Glamox
BKJ8M8G5HI
4-[(4-methyl-1-piperazinyl)methyl]-N-[4-methyl-3-[[4-(3-pyridinyl)-2-pyrimidinyl]amino]phenyl]benzamide
Computed Properties
Structural Parameters
Heavy atom count
37
Aromatic heavy atom count
24
Fraction Csp3
0.24
Rotatable bonds
7
H-bond acceptors
7
H-bond donors
2
Molar refractivity
146.89
TPSA
86.28
LogP / Solubility
WLOGP
4.59
MLOGP
4.07
XLogP3
3.5
Consensus LogP
4.05
Log S (ESOL)
-5.81
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.92
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.52
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.47
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
5
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