![CAS 1416713-15-9 5-Chloro-3-iodo-1-(tetrahydro-2H-pyran-2-yl)-1H-pyrazolo[4,3-b]pyridine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1416713-15-9.gif)
CAS RN: 1416713-15-9
5-Chloro-3-iodo-1-(tetrahydro-2H-pyran-2-yl)-1H-pyrazolo[4,3-b]pyridine
- Product code: SSC-052189
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 | Shenzhen | Inquiry |
1416713-15-9 / 5-chloro-3-iodo-1-(oxan-2-yl)pyrazolo[4,3-b]pyridine
Basic Information
CAS
1416713-15-9
Multi CAS
No
Molecular Formula
C11H11ClIN3O
Molecular Weight
363.580000
Exact Mass
362.963540
SMILES
C1CCOC(C1)N2C3=C(C(=N2)I)N=C(C=C3)Cl
InChI
InChI=1S/C11H11ClIN3O/c12-8-5-4-7-10(14-8)11(13)15-16(7)9-3-1-2-6-17-9/h4-5,9H,1-3,6H2
InChIKey
FZURCRAFEKVBNJ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
9
Fraction Csp3
0.45
Rotatable bonds
1
H-bond acceptors
4
Molar refractivity
74.1
TPSA
39.94
LogP / Solubility
WLOGP
3.39
MLOGP
3
XLogP3
3
Consensus LogP
3.13
Log S (ESOL)
-4.55
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.99
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.96
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
Yes
Log Kp (skin permeation)
-2.53
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
2
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![CAS 1416713-35-3 1H-Pyrazolo[3,4-b]pyridine, 3-chloro-1-(tetrahydro-2H-pyran-2-yl)- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1416713-35-3.gif)
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