![CAS 1462949-64-9 (7-(5-fluoro-2-methoxyphenyl)-2-((2-isopropoxy-4-(4-methylpiperazin-1-yl)phenyl)amino)thieno[3,2-d]pyrimidin-6-yl)methanol molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1462949-64-9.gif)
CAS RN: 1462949-64-9
(7-(5-fluoro-2-methoxyphenyl)-2-((2-isopropoxy-4-(4-methylpiperazin-1-yl)phenyl)amino)thieno[3,2-d]pyrimidin-6-yl)methanol
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.20250329 | 10mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1462949-64-9
- Purity/Analytical Methods: >99.0%
1462949-64-9 / [7-(5-fluoro-2-methoxyphenyl)-2-[4-(4-methylpiperazin-1-yl)-2-propan-2-yloxyanilino]thieno[3,2-d]pyrimidin-6-yl]methanol
Basic Information
CAS
1462949-64-9
Multi CAS
No
Molecular Formula
C28H32FN5O3S
Molecular Weight
537.700000
Exact Mass
537.220989
SMILES
CC(C)OC1=C(C=CC(=C1)N2CCN(CC2)C)NC3=NC=C4C(=N3)C(=C(S4)CO)C5=C(C=CC(=C5)F)OC
InChI
InChI=1S/C28H32FN5O3S/c1-17(2)37-23-14-19(34-11-9-33(3)10-12-34)6-7-21(23)31-28-30-15-24-27(32-28)26(25(16-35)38-24)20-13-18(29)5-8-22(20)36-4/h5-8,13-15,17,35H,9-12,16H2,1-4H3,(H,30,31,32)
InChIKey
SWRGFJBGNAEJOY-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
38
Aromatic heavy atom count
21
Fraction Csp3
0.36
Rotatable bonds
8
H-bond acceptors
9
H-bond donors
2
Molar refractivity
150.48
TPSA
82.98
LogP / Solubility
WLOGP
5.28
MLOGP
4.69
XLogP3
4.7
Consensus LogP
4.89
Log S (ESOL)
-6.38
Class (ESOL)
Insoluble
Log S (Ali)
-7.78
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.5
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)
-2.25
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.56
Leadlikeness
No
Synthetic Accessibility
5
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