![CAS 1658461-71-2 1H-Pyrazolo[4,3-c]pyridine-3-carboxylic acid, 6-chloro-, methyl ester molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1658461-71-2.gif)
CAS RN: 1658461-71-2
1H-Pyrazolo[4,3-c]pyridine-3-carboxylic acid, 6-chloro-, methyl ester
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.20250517 | 1g / 5g | Out of stock | 5-7 business days | Inquiry |
- Product code: SSC-072421
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 |
1658461-71-2 / methyl 6-chloro-1H-pyrazolo[4,3-c]pyridine-3-carboxylate
Basic Information
CAS
1658461-71-2
Multi CAS
No
Molecular Formula
C8H6ClN3O2
Molecular Weight
211.600000
Exact Mass
211.014854
SMILES
COC(=O)C1=NNC2=CC(=NC=C21)Cl
InChI
InChI=1S/C8H6ClN3O2/c1-14-8(13)7-4-3-10-6(9)2-5(4)11-12-7/h2-3H,1H3,(H,11,12)
InChIKey
UDCYZORJQGSQLF-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
9
Fraction Csp3
0.12
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
1
Molar refractivity
50.24
TPSA
67.87
LogP / Solubility
WLOGP
1.4
MLOGP
1.23
XLogP3
1.6
Consensus LogP
1.41
Log S (ESOL)
-2.44
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.3
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.32
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.02
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
1.5
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