![CAS 2096342-39-9 PYRAZOLO[1,5-A]PYRIDIN-5-YLBORONIC ACID molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2096342-39-9.png)
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 | Shanghai | Inquiry |
2096342-39-9 / pyrazolo[1,5-a]pyridin-5-ylboronic acid
Basic Information
CAS
2096342-39-9
Multi CAS
No
Molecular Formula
C7H7BN2O2
Molecular Weight
161.960000
Exact Mass
162.060058
SMILES
B(C1=CC2=CC=NN2C=C1)(O)O
InChI
InChI=1S/C7H7BN2O2/c11-8(12)6-2-4-10-7(5-6)1-3-9-10/h1-5,11-12H
InChIKey
QOQVVOKEUDGBGD-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
9
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
2
Molar refractivity
45.02
TPSA
57.76
LogP / Solubility
WLOGP
-0.99
MLOGP
-0.87
XLogP3
-0.99
Consensus LogP
-0.95
Log S (ESOL)
-0.71
Class (ESOL)
Very soluble
Log S (Ali)
-0.18
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.01
Class (SILICOS-IT)
Very soluble
ADME
GI absorption
Low
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)
-4.41
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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