![CAS 832715-52-3 1-(4-BroMophenyl)-4-chloro-1H-pyrazolo[3,4-d]pyriMidine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/832715-52-3.gif)
CAS RN: 832715-52-3
1-(4-BroMophenyl)-4-chloro-1H-pyrazolo[3,4-d]pyriMidine
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.20260119 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS832715-52-3
- Purity/Analytical Methods: >99.0%
832715-52-3 / 1-(4-bromophenyl)-4-chloropyrazolo[5,4-d]pyrimidine
Basic Information
CAS
832715-52-3
Multi CAS
No
Molecular Formula
C11H6BRCLN4
Molecular Weight
309.550000
Exact Mass
307.946440
InChI
InChI=1S/C11H6BrClN4/c12-7-1-3-8(4-2-7)17-11-9(5-16-17)10(13)14-6-15-11/h1-6H
InChIKey
UZYNDGAOOONELP-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
15
Rotatable bonds
1
H-bond acceptors
4
Molar refractivity
69.37
TPSA
43.6
LogP / Solubility
WLOGP
3.23
MLOGP
2.86
XLogP3
3.5
Consensus LogP
3.2
Log S (ESOL)
-4.38
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.43
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.47
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.31
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5
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![CAS 832720-84-0 4-[[(1R)-2-[5-(2-fluoro-3-methoxyphenyl)-3-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]-3,6-dihydro-4-methyl-2,6-dioxo-1(2H)-pyrimidinyl]-1-phenylethyl]amino]-, ethyl ester molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/832720-84-0.gif)
