![CAS 2429889-62-1 4(3H)-Quinazolinone, 2-[(1R)-1-[4-amino-3-(3-fluoro-4-methoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]propyl]-3-cyclopropyl-5-fluoro- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2429889-62-1.gif)
CAS RN: 2429889-62-1
4(3H)-Quinazolinone, 2-[(1R)-1-[4-amino-3-(3-fluoro-4-methoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]propyl]-3-cyclopropyl-5-fluoro-
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250128 | 1mg / 5mg / 25mg / 100mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS2429889-62-1
- Purity/Analytical Methods: >99.0%
2429889-62-1 / 2-[(1R)-1-[4-amino-3-(3-fluoro-4-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]propyl]-3-cyclopropyl-5-fluoroquinazolin-4-one
Basic Information
CAS
2429889-62-1
Multi CAS
No
Molecular Formula
C26H23F2N7O2
Molecular Weight
503.500000
Exact Mass
503.188129
SMILES
CC[C@H](C1=NC2=C(C(=CC=C2)F)C(=O)N1C3CC3)N4C5=NC=NC(=C5C(=N4)C6=CC(=C(C=C6)OC)F)N
InChI
InChI=1S/C26H23F2N7O2/c1-3-18(24-32-17-6-4-5-15(27)20(17)26(36)34(24)14-8-9-14)35-25-21(23(29)30-12-31-25)22(33-35)13-7-10-19(37-2)16(28)11-13/h4-7,10-12,14,18H,3,8-9H2,1-2H3,(H2,29,30,31)/t18-/m1/s1
InChIKey
HTUBTEAYSCSTIY-GOSISDBHSA-N
Computed Properties
Structural Parameters
Heavy atom count
37
Aromatic heavy atom count
25
Fraction Csp3
0.27
Rotatable bonds
6
H-bond acceptors
9
H-bond donors
1
Molar refractivity
134.34
TPSA
113.74
LogP / Solubility
WLOGP
4.41
MLOGP
3.91
XLogP3
3.9
Consensus LogP
4.07
Log S (ESOL)
-5.84
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.87
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.31
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.66
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
6
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