CAS RN: 2172651-73-7
2172651-73-7
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.20250522 | 100mg | In stock | Shanghai | Inquiry |
| Batchno.20260319 | 10mg | In stock | Shanghai | Inquiry |
| Batchno.20251003 | 1mg | In stock | Shanghai, Tianjin | Inquiry |
| Batchno.20250914 | 250mg | In stock | Shanghai | Inquiry |
| Batchno.20251112 | 25mg | In stock | Shanghai | Inquiry |
| Batchno.20250730 | 50mg | In stock | Shanghai | Inquiry |
| Batchno.20250729 | 5mg | In stock | Shanghai | Inquiry |
- Product code: SSC-104758
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 0.1g
- Available purity: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 0.1g | ≥95% | 0 Out of Stock | Shanghai | Inquiry |
2172651-73-7 / [3-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-6-(2,3-dichlorophenyl)-5-methylpyrazin-2-yl]methanol
Basic Information
CAS
2172651-73-7
Multi CAS
No
Molecular Formula
C21H26Cl2N4O2
Molecular Weight
437.400000
Exact Mass
436.143282
SMILES
C[C@H]1[C@H](C2(CCN(CC2)C3=NC(=C(N=C3CO)C4=C(C(=CC=C4)Cl)Cl)C)CO1)N
InChI
InChI=1S/C21H26Cl2N4O2/c1-12-18(14-4-3-5-15(22)17(14)23)26-16(10-28)20(25-12)27-8-6-21(7-9-27)11-29-13(2)19(21)24/h3-5,13,19,28H,6-11,24H2,1-2H3/t13-,19+/m0/s1
InChIKey
IKUYEYLZXGGCRD-ORAYPTAESA-N
Computed Properties
Structural Parameters
Heavy atom count
29
Aromatic heavy atom count
12
Fraction Csp3
0.52
Rotatable bonds
3
H-bond acceptors
6
H-bond donors
2
Molar refractivity
115.42
TPSA
84.5
LogP / Solubility
WLOGP
3.58
MLOGP
3.18
XLogP3
2.5
Consensus LogP
3.09
Log S (ESOL)
-4.92
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.73
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.84
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.84
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
5
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