![CAS 76006-14-9 3-Chloro-1H-pyrazolo[3,4-c]pyridine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/76006-14-9.gif)
CAS RN: 76006-14-9
3-Chloro-1H-pyrazolo[3,4-c]pyridine
Product Availability
Choose a grade to view its available package options.
3 package records3 with current stock1 grade group
- Product code: SSC-185457
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 | Hong Kong | Inquiry |
76006-14-9 / 3-chloro-2H-pyrazolo[3,4-c]pyridine
Basic Information
CAS
76006-14-9
Multi CAS
No
Molecular Formula
C6H4CLN3
Molecular Weight
153.570000
Exact Mass
153.009375
InChI
InChI=1S/C6H4ClN3/c7-6-4-1-2-8-3-5(4)9-10-6/h1-3H,(H,9,10)
InChIKey
AENFQWPNKBSHLK-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Aromatic heavy atom count
9
H-bond acceptors
2
H-bond donors
1
Molar refractivity
38.9
TPSA
41.57
LogP / Solubility
WLOGP
1.61
MLOGP
1.41
XLogP3
1.4
Consensus LogP
1.47
Log S (ESOL)
-2.47
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.98
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2
Class (SILICOS-IT)
Soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.51
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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