CAS RN: 955977-50-1
PI-3065
Product Availability
Choose a grade to view its available package options.
7 package records5 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250707 | 100mg | Out of stock | Inquiry | ||
| Batchno.20260430 | 10mg | In stock | Shanghai | Inquiry | |
| Batchno.20260107 | 250mg | Out of stock | Inquiry | ||
| Batchno.20250410 | 25mg | In stock | Shanghai | Inquiry | |
| Batchno.20250505 | 50mg | In stock | Shanghai | Inquiry | |
| Batchno.20251011 | 5mg | In stock | Shanghai | Inquiry |
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20260522 | 1mg / 5mg / 10mg | Confirm by inquiry | Shanghai | 5-7 business days | Inquiry |
- Product code: starshine_CAS955977-50-1
- Purity/Analytical Methods: >99.0%
955977-50-1 / 4-[6-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]-2-(5-fluoro-1H-indol-4-yl)thieno[3,2-d]pyrimidin-4-yl]morpholine
Basic Information
CAS
955977-50-1
Multi CAS
No
Molecular Formula
C27FH31N6OS
Molecular Weight
506.600000
Exact Mass
506.226409
InChI
InChI=1S/C27H31FN6OS/c28-21-3-4-22-20(5-6-29-22)24(21)26-30-23-15-19(17-33-9-7-32(8-10-33)16-18-1-2-18)36-25(23)27(31-26)34-11-13-35-14-12-34/h3-6,15,18,29H,1-2,7-14,16-17H2
InChIKey
YDNOHCOYQVZOMC-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
36
Aromatic heavy atom count
18
Fraction Csp3
0.48
Rotatable bonds
6
H-bond acceptors
7
H-bond donors
1
Molar refractivity
142.14
TPSA
60.52
LogP / Solubility
WLOGP
4.34
MLOGP
3.86
XLogP3
3.7
Consensus LogP
3.97
Log S (ESOL)
-5.69
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.85
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.28
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.73
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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