![CAS 1854056-69-1 1H-Pyrazolo[3,4-b]pyridine, 3-bromo-4-chloro-1-[(4-methoxyphenyl)methyl]- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1854056-69-1.gif)
CAS RN: 1854056-69-1
1H-Pyrazolo[3,4-b]pyridine, 3-bromo-4-chloro-1-[(4-methoxyphenyl)methyl]-
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.20251230 | 100mg / 250mg / 1g / 5g | Out of stock | 5-7 business days | Inquiry |
- Product code: SSC-085810
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 |
1854056-69-1 / 3-bromo-4-chloro-1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyridine
Basic Information
CAS
1854056-69-1
Multi CAS
No
Molecular Formula
C14H11BrClN3O
Molecular Weight
352.610000
Exact Mass
350.977400
SMILES
COC1=CC=C(C=C1)CN2C3=NC=CC(=C3C(=N2)Br)Cl
InChI
InChI=1S/C14H11BrClN3O/c1-20-10-4-2-9(3-5-10)8-19-14-12(13(15)18-19)11(16)6-7-17-14/h2-7H,8H2,1H3
InChIKey
DKTCBYGXTUXLRL-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
20
Aromatic heavy atom count
15
Fraction Csp3
0.14
Rotatable bonds
3
H-bond acceptors
4
Molar refractivity
82.33
TPSA
39.94
LogP / Solubility
WLOGP
3.9
MLOGP
3.45
XLogP3
4.1
Consensus LogP
3.82
Log S (ESOL)
-4.84
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.27
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.55
Class (SILICOS-IT)
Slightly soluble
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)
-2.1
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
Customers Also Viewed
-
![CAS 1854066-56-0 (S)-1-[(R)-2-[Bis[4-(trifluoromethyl)phenyl]phosphino]ferroc enyl]ethylbis[4-(trifluoromethyl)phenyl]phosphine molecular structure](data:image/svg+xml,%3Csvg%20xmlns='http://www.w3.org/2000/svg'%20viewBox='0%200%200%200'%3E%3C/svg%3E)
(S)-1-[(R)-2-[Bis[4-(trifluoromethyl)phenyl]phosphino]ferroc enyl]ethylbis[4-(trifluoromethyl)phenyl]phosphine
- CAS RN: 1854066-56-0
- Product Code: starshine_CAS1854066-56-0
- Purity/Analytical method: >99.0%
-
-
Chloroquine-d5 (phosphate)
- CAS RN: 1854126-42-3
- Product Code: starshine_CAS1854126-42-3
- Purity/Analytical method: >99.0%
-
Hydroxychloroquine-d4 (sulfate)
- CAS RN: 1854126-45-6
- Product Code: starshine_CAS1854126-45-6
- Purity/Analytical method: >99.0%
-
-
3-(3-methoxy-4-nitrophenyl)-9-methyl-3,9-diazaspiro[5.5]undecane
- CAS RN: 1854943-73-9
- Product Code: SSC-085854
![CAS 1854066-56-0 (S)-1-[(R)-2-[Bis[4-(trifluoromethyl)phenyl]phosphino]ferroc enyl]ethylbis[4-(trifluoromethyl)phenyl]phosphine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1854066-56-0.gif)
![CAS 1854943-73-9 3-(3-methoxy-4-nitrophenyl)-9-methyl-3,9-diazaspiro[5.5]undecane molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1854943-73-9.gif)