![CAS 2421141-40-2 Acetamide, 2-[3-[6-cyclobutyl-5,6,7,8-tetrahydro-4-[[4-(1H-pyrazol-4-yl)phenyl]amino]pyrido[4,3-d]pyrimidin-2-yl]phenoxy]-N-(1-methylcyclopropyl)- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2421141-40-2.gif)
CAS RN: 2421141-40-2
Acetamide, 2-[3-[6-cyclobutyl-5,6,7,8-tetrahydro-4-[[4-(1H-pyrazol-4-yl)phenyl]amino]pyrido[4,3-d]pyrimidin-2-yl]phenoxy]-N-(1-methylcyclopropyl)-
Product Availability
Choose a grade to view its available package options.
6 package records6 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260325 | 5mg / 25mg | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS2421141-40-2
- Purity/Analytical Methods: >99.0%
2421141-40-2 / 2-[3-[6-cyclobutyl-4-[4-(1H-pyrazol-4-yl)anilino]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]phenoxy]-N-(1-methylcyclopropyl)acetamide
Basic Information
CAS
2421141-40-2
Multi CAS
No
Molecular Formula
C32H35N7O2
Molecular Weight
549.700000
Exact Mass
549.285223
SMILES
CC1(CC1)NC(=O)COC2=CC=CC(=C2)C3=NC4=C(CN(CC4)C5CCC5)C(=N3)NC6=CC=C(C=C6)C7=CNN=C7
InChI
InChI=1S/C32H35N7O2/c1-32(13-14-32)38-29(40)20-41-26-7-2-4-22(16-26)30-36-28-12-15-39(25-5-3-6-25)19-27(28)31(37-30)35-24-10-8-21(9-11-24)23-17-33-34-18-23/h2,4,7-11,16-18,25H,3,5-6,12-15,19-20H2,1H3,(H,33,34)(H,38,40)(H,35,36,37)
InChIKey
IXZVJTRRPOHKJF-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
41
Aromatic heavy atom count
23
Fraction Csp3
0.38
Rotatable bonds
9
H-bond acceptors
7
H-bond donors
3
Molar refractivity
157.8
TPSA
108.06
LogP / Solubility
WLOGP
5.24
MLOGP
4.65
XLogP3
4.5
Consensus LogP
4.8
Log S (ESOL)
-6.37
Class (ESOL)
Insoluble
Log S (Ali)
-7.85
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.66
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.36
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.56
Leadlikeness
No
Synthetic Accessibility
6
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