CAS RN: 2110428-64-1
JNJ-63576253(TRC-253)
Product Availability
Choose a grade to view its available package options.
7 package records4 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250213 | 100mg | Out of stock | Inquiry | ||
| Batchno.20250401 | 10mg | In stock | Shanghai | Inquiry | |
| Batchno.20260312 | 250mg | Out of stock | Inquiry | ||
| Batchno.20260331 | 25mg | In stock | Shanghai | Inquiry | |
| Batchno.20250915 | 50mg | In stock | Shanghai | Inquiry | |
| Batchno.20250703 | 5mg | In stock | Shanghai | Inquiry | |
| Batchno.20251005 | 5mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS2110428-64-1
- Purity/Analytical Methods: >99.0%
2110428-64-1 / 5-[8-oxo-5-(6-piperidin-4-yloxy-3-pyridinyl)-6-sulfanylidene-5,7-diazaspiro[3.4]octan-7-yl]-3-(trifluoromethyl)pyridine-2-carbonitrile;hydrochloride
Basic Information
CAS
2110428-64-1
Multi CAS
No
Molecular Formula
C23H22ClF3N6O2S
Molecular Weight
539.000000
Exact Mass
538.116557
SMILES
C1CC2(C1)C(=O)N(C(=S)N2C3=CN=C(C=C3)OC4CCNCC4)C5=CC(=C(N=C5)C#N)C(F)(F)F.Cl
InChI
InChI=1S/C23H21F3N6O2S.ClH/c24-23(25,26)17-10-15(13-29-18(17)11-27)31-20(33)22(6-1-7-22)32(21(31)35)14-2-3-19(30-12-14)34-16-4-8-28-9-5-16;/h2-3,10,12-13,16,28H,1,4-9H2;1H
InChIKey
QDINJYHLAKIZLE-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
36
Aromatic heavy atom count
12
Fraction Csp3
0.43
Rotatable bonds
4
H-bond acceptors
7
H-bond donors
1
Molar refractivity
131.1
TPSA
94.38
LogP / Solubility
WLOGP
3.98
MLOGP
3.54
XLogP3
3.98
Consensus LogP
3.83
Log S (ESOL)
-5.67
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.85
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.95
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)
-3.18
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
6
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