![CAS 2348512-74-1 1H-Pyrazolo[4,3-c]pyridine, 3-bromo-6-chloro-1-[[2-(trimethylsilyl)ethoxy]methyl]- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2348512-74-1.gif)
CAS RN: 2348512-74-1
1H-Pyrazolo[4,3-c]pyridine, 3-bromo-6-chloro-1-[[2-(trimethylsilyl)ethoxy]methyl]-
- Product code: SSC-113348
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 |
2348512-74-1 / 2-[(3-bromo-6-chloropyrazolo[4,3-c]pyridin-1-yl)methoxy]ethyl-trimethylsilane
Basic Information
CAS
2348512-74-1
Multi CAS
No
Molecular Formula
C12H17BrClN3OSi
Molecular Weight
362.720000
Exact Mass
361.001280
SMILES
C[Si](C)(C)CCOCN1C2=CC(=NC=C2C(=N1)Br)Cl
InChI
InChI=1S/C12H17BrClN3OSi/c1-19(2,3)5-4-18-8-17-10-6-11(14)15-7-9(10)12(13)16-17/h6-7H,4-5,8H2,1-3H3
InChIKey
FJBGISRTLWVHIB-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Aromatic heavy atom count
9
Fraction Csp3
0.5
Rotatable bonds
5
H-bond acceptors
4
Molar refractivity
84.34
TPSA
39.94
LogP / Solubility
WLOGP
4.16
MLOGP
3.68
XLogP3
4.16
Consensus LogP
4
Log S (ESOL)
-4.73
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.54
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.07
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.98
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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