CAS RN: 2146095-85-2
SHIN1
Product Availability
Choose a grade to view its available package options.
8 package records8 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20251011 | 100mg | In stock | Shanghai | Inquiry | |
| Batchno.20260502 | 10mg | In stock | Shanghai | Inquiry | |
| Batchno.20250205 | 1mg | In stock | Shanghai | Inquiry | |
| Batchno.20251106 | 1mg / 5mg / 25mg | Confirm by inquiry | Shanghai, Shandong | 5-7 business days | Inquiry |
| Batchno.20250214 | 250mg | In stock | Shanghai | Inquiry | |
| Batchno.20250112 | 25mg | In stock | Shanghai | Inquiry | |
| Batchno.20250813 | 50mg | In stock | Shanghai | Inquiry | |
| Batchno.20250301 | 5mg | In stock | Shanghai | Inquiry |
- Product code: SSC-102898
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 | Shenzhen | Inquiry |
2146095-85-2 / 6-amino-4-[3-(hydroxymethyl)-5-phenylphenyl]-3-methyl-4-propan-2-yl-2H-pyrano[2,3-c]pyrazole-5-carbonitrile
Basic Information
CAS
2146095-85-2
Multi CAS
No
Molecular Formula
C24H24N4O2
Molecular Weight
400.500000
Exact Mass
400.189926
SMILES
CC1=C2C(=NN1)OC(=C(C2(C3=CC(=CC(=C3)C4=CC=CC=C4)CO)C(C)C)C#N)N
InChI
InChI=1S/C24H24N4O2/c1-14(2)24(20(12-25)22(26)30-23-21(24)15(3)27-28-23)19-10-16(13-29)9-18(11-19)17-7-5-4-6-8-17/h4-11,14,29H,13,26H2,1-3H3,(H,27,28)
InChIKey
VVVOFJZXKJKHTD-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
30
Aromatic heavy atom count
17
Fraction Csp3
0.25
Rotatable bonds
4
H-bond acceptors
5
H-bond donors
3
Molar refractivity
114.2
TPSA
107.95
LogP / Solubility
WLOGP
3.91
MLOGP
3.46
XLogP3
4.4
Consensus LogP
3.92
Log S (ESOL)
-4.94
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.66
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.98
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.39
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5
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