CAS RN: 913064-47-8
ELN 441958
Product Availability
Choose a grade to view its available package options.
11 package records7 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20260602 | 100mg | Out of stock | Inquiry | ||
| Batchno.20250127 | 250mg | Out of stock | Inquiry | ||
| Batchno.20260123 | 25mg | Out of stock | Inquiry | ||
| Batchno.20251016 | 50mg | Out of stock | Inquiry | ||
| Batchno.20250315 | 5mg / 25mg / 100mg | Confirm by inquiry | Shandong | 5-7 business days | Inquiry |
- Product code: starshine_CAS913064-47-8
- Purity/Analytical Methods: >99.0%
913064-47-8 / 7-chloro-2-[3-(9-pyridin-4-yl-3,9-diazaspiro[5.5]undecane-3-carbonyl)phenyl]-3H-isoindol-1-one
Basic Information
CAS
913064-47-8
Multi CAS
Yes
Molecular Formula
C29H29CLN4O2
Molecular Weight
501.000000
Exact Mass
500.197904
InChI
InChI=1S/C29H29ClN4O2/c30-25-6-2-4-22-20-34(28(36)26(22)25)24-5-1-3-21(19-24)27(35)33-17-11-29(12-18-33)9-15-32(16-10-29)23-7-13-31-14-8-23/h1-8,13-14,19H,9-12,15-18,20H2
InChIKey
ARYQHSWJGHCGJS-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
36
Aromatic heavy atom count
18
Fraction Csp3
0.34
Rotatable bonds
3
H-bond acceptors
4
Molar refractivity
141.66
TPSA
56.75
LogP / Solubility
WLOGP
5.42
MLOGP
4.8
XLogP3
4.4
Consensus LogP
4.87
Log S (ESOL)
-6.53
Class (ESOL)
Insoluble
Log S (Ali)
-7.58
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.77
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)
-1.93
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.56
Leadlikeness
No
Synthetic Accessibility
6.5
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