![CAS 2653994-08-0 2-Propen-1-one, 1-[6-[(4R)-4-(5-chloro-6-methyl-1H-indazol-4-yl)-5-methyl-3-(1-methyl-1H-indazol-5-yl)-1H-pyrazol-1-yl]-2-azaspiro[3.3]hept-2-yl]- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2653994-08-0.gif)
CAS RN: 2653994-08-0
2-Propen-1-one, 1-[6-[(4R)-4-(5-chloro-6-methyl-1H-indazol-4-yl)-5-methyl-3-(1-methyl-1H-indazol-5-yl)-1H-pyrazol-1-yl]-2-azaspiro[3.3]hept-2-yl]-
Product Availability
Choose a grade to view its available package options.
7 package records3 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250322 | 100mg | Out of stock | Inquiry | ||
| Batchno.20260518 | 10mg | In stock | Shanghai | Inquiry | |
| Batchno.20260201 | 1mg | In stock | Shanghai | Inquiry | |
| Batchno.20250419 | 1mg / 5mg / 25mg | Out of stock | 15 business days | Inquiry | |
| Batchno.20260614 | 25mg | Out of stock | Inquiry | ||
| Batchno.20260421 | 50mg | Out of stock | Inquiry | ||
| Batchno.20250304 | 5mg | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS2653994-08-0
- Purity/Analytical Methods: >99.0%
2653994-08-0 / 1-[6-[4-(5-chloro-6-methyl-1H-indazol-4-yl)-5-methyl-3-(1-methylindazol-5-yl)pyrazol-1-yl]-2-azaspiro[3.3]heptan-2-yl]prop-2-en-1-one
Basic Information
CAS
2653994-08-0
Multi CAS
No
Molecular Formula
C29H28ClN7O
Molecular Weight
526.000000
Exact Mass
525.204386
SMILES
CC1=CC2=C(C=NN2)C(=C1Cl)C3=C(N(N=C3C4=CC5=C(C=C4)N(N=C5)C)C6CC7(C6)CN(C7)C(=O)C=C)C
InChI
InChI=1S/C29H28ClN7O/c1-5-24(38)36-14-29(15-36)10-20(11-29)37-17(3)25(26-21-13-31-33-22(21)8-16(2)27(26)30)28(34-37)18-6-7-23-19(9-18)12-32-35(23)4/h5-9,12-13,20H,1,10-11,14-15H2,2-4H3,(H,31,33)
InChIKey
AZUYLZMQTIKGSC-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
38
Aromatic heavy atom count
23
Fraction Csp3
0.31
Rotatable bonds
4
H-bond acceptors
6
H-bond donors
1
Molar refractivity
148.99
TPSA
84.63
LogP / Solubility
WLOGP
5.6
MLOGP
4.97
XLogP3
4.6
Consensus LogP
5.06
Log S (ESOL)
-6.81
Class (ESOL)
Insoluble
Log S (Ali)
-7.92
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.21
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)
-1.95
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.56
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
7
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