![CAS 2055840-60-1 5-BROMO-3-METHYL-1H-PYRAZOLO[4,3-B]PYRIDINE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2055840-60-1.png)
CAS RN: 2055840-60-1
5-BROMO-3-METHYL-1H-PYRAZOLO[4,3-B]PYRIDINE
- Product code: SSC-096783
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 |
2055840-60-1 / 5-bromo-3-methyl-2H-pyrazolo[4,3-b]pyridine
Basic Information
CAS
2055840-60-1
Multi CAS
No
Molecular Formula
C7H6BrN3
Molecular Weight
212.050000
Exact Mass
210.974510
SMILES
CC1=C2C(=NN1)C=CC(=N2)Br
InChI
InChI=1S/C7H6BrN3/c1-4-7-5(11-10-4)2-3-6(8)9-7/h2-3H,1H3,(H,10,11)
InChIKey
AWYQHIAEBRKBLC-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
9
Fraction Csp3
0.14
H-bond acceptors
2
H-bond donors
1
Molar refractivity
46.33
TPSA
41.57
LogP / Solubility
WLOGP
2.03
MLOGP
1.79
XLogP3
2
Consensus LogP
1.94
Log S (ESOL)
-3.04
Class (ESOL)
Poorly soluble
Log S (Ali)
-2.76
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.72
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.57
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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