CAS RN: 1334294-76-6
GSK682753A
Product Availability
Choose a grade to view its available package options.
7 package records7 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260502 | 100mg | In stock | Shanghai | Inquiry |
| Batchno.20251101 | 10mg | In stock | Shanghai | Inquiry |
| Batchno.20260215 | 1mg | In stock | Shanghai | Inquiry |
| Batchno.20250222 | 250mg | In stock | Shanghai | Inquiry |
| Batchno.20251108 | 25mg | In stock | Shanghai | Inquiry |
| Batchno.20251023 | 50mg | In stock | Shanghai | Inquiry |
| Batchno.20251223 | 5mg | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS1334294-76-6
- Purity/Analytical Methods: >99.0%
1334294-76-6 / 8-[(E)-3-(4-chlorophenyl)prop-2-enoyl]-3-[(3,4-dichlorophenyl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
Basic Information
CAS
1334294-76-6
Multi CAS
No
Molecular Formula
C23H21Cl3N2O3
Molecular Weight
479.800000
Exact Mass
478.061776
SMILES
C1CN(CCC12CN(C(=O)O2)CC3=CC(=C(C=C3)Cl)Cl)C(=O)/C=C/C4=CC=C(C=C4)Cl
InChI
InChI=1S/C23H21Cl3N2O3/c24-18-5-1-16(2-6-18)4-8-21(29)27-11-9-23(10-12-27)15-28(22(30)31-23)14-17-3-7-19(25)20(26)13-17/h1-8,13H,9-12,14-15H2/b8-4+
InChIKey
RDDLWMWIRXGSJM-XBXARRHUSA-N
Computed Properties
Structural Parameters
Heavy atom count
31
Aromatic heavy atom count
12
Fraction Csp3
0.3
Rotatable bonds
4
H-bond acceptors
3
Molar refractivity
122.38
TPSA
49.85
LogP / Solubility
WLOGP
5.67
MLOGP
5.03
XLogP3
5.2
Consensus LogP
5.3
Log S (ESOL)
-6.41
Class (ESOL)
Insoluble
Log S (Ali)
-7.59
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.97
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.62
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4
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