![CAS 37801-57-3 ETHYL 4-CHLORO-1-METHYL-1H-PYRAZOLO[3,4-B]PYRIDINE-5-CARBOXYLATE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/37801-57-3.gif)
CAS RN: 37801-57-3
ETHYL 4-CHLORO-1-METHYL-1H-PYRAZOLO[3,4-B]PYRIDINE-5-CARBOXYLATE
- Product code: SSC-145251
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 |
37801-57-3 / ethyl 4-chloro-1-methylpyrazolo[3,4-b]pyridine-5-carboxylate
Basic Information
CAS
37801-57-3
Multi CAS
No
Molecular Formula
C10H10CLN3O2
Molecular Weight
239.660000
Exact Mass
239.046154
InChI
InChI=1S/C10H10ClN3O2/c1-3-16-10(15)7-4-12-9-6(8(7)11)5-13-14(9)2/h4-5H,3H2,1-2H3
InChIKey
ILWRYGALHSASQT-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
9
Fraction Csp3
0.3
Rotatable bonds
2
H-bond acceptors
5
Molar refractivity
59.48
TPSA
57.01
LogP / Solubility
WLOGP
1.8
MLOGP
1.59
XLogP3
1.7
Consensus LogP
1.7
Log S (ESOL)
-2.74
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.82
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.95
Class (SILICOS-IT)
Moderately 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)
-2.91
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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