CAS RN: 2066567-78-8
1H-Indazol-5-ol, 3-iodo-1-(tetrahydro-2H-pyran-2-yl)-
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260513 | 100mg / 250mg | Out of stock | 8-10 business days | Inquiry |
- Product code: SSC-097352
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: 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 |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Beijing | Inquiry |
2066567-78-8 / 3-iodo-1-(oxan-2-yl)indazol-5-ol
Basic Information
CAS
2066567-78-8
Multi CAS
No
Molecular Formula
C12H13IN2O2
Molecular Weight
344.150000
Exact Mass
344.002180
SMILES
C1CCOC(C1)N2C3=C(C=C(C=C3)O)C(=N2)I
InChI
InChI=1S/C12H13IN2O2/c13-12-9-7-8(16)4-5-10(9)15(14-12)11-3-1-2-6-17-11/h4-5,7,11,16H,1-3,6H2
InChIKey
PBRYTCBDUXUKLU-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
9
Fraction Csp3
0.42
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
1
Molar refractivity
72.95
TPSA
47.28
LogP / Solubility
WLOGP
3.05
MLOGP
2.7
XLogP3
2.7
Consensus LogP
2.82
Log S (ESOL)
-4.22
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.58
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.54
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.66
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2
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