![CAS 1072895-86-3 4,6-DICHLORO-1,3-DIMETHYL-1H-PYRAZOLO[3,4-D]PYRIMIDINE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1072895-86-3.gif)
CAS RN: 1072895-86-3
4,6-DICHLORO-1,3-DIMETHYL-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.20260516 | 250mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1072895-86-3
- Purity/Analytical Methods: >99.0%
1072895-86-3 / 4,6-dichloro-1,3-dimethylpyrazolo[5,4-d]pyrimidine
4,6-Dichloro-1,3-dimethyl-1H-pyrazolo[3,4-d]pyrimidine | MFCD11869749 | 4,6-dichloro-1,3-dimethylpyrazolo[3,4-d]pyrimidine
Basic Information
CAS
1072895-86-3
Multi CAS
No
Molecular Formula
C7H6Cl2N4
Molecular Weight
217.050000
Exact Mass
215.996952
SMILES
CC1=NN(C2=C1C(=NC(=N2)Cl)Cl)C
InChI
InChI=1S/C7H6Cl2N4/c1-3-4-5(8)10-7(9)11-6(4)13(2)12-3/h1-2H3
InChIKey
VBDCTFDIXXYZOO-UHFFFAOYSA-N
Synonyms
4,6-Dichloro-1,3-dimethyl-1H-pyrazolo[3,4-d]pyrimidine
MFCD11869749
4,6-dichloro-1,3-dimethylpyrazolo[3,4-d]pyrimidine
4,6-dichloro-1,3-dimethyl-pyrazolo[3,4-d]pyrimidine
SCHEMBL2193613
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
9
Fraction Csp3
0.29
H-bond acceptors
4
Molar refractivity
51.06
TPSA
43.6
LogP / Solubility
WLOGP
1.98
MLOGP
1.74
XLogP3
2.5
Consensus LogP
2.07
Log S (ESOL)
-2.94
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.77
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.71
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.64
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
Customers Also Viewed
-
-
-
-
N-ForMyl-L-isoleucine (1S)-1-[[(2S,3S)-3-Hexyl-4-oxo-2-oxetanyl]Methyl]dodecyl Ester
- CAS RN: 1072902-75-0
- Product Code: starshine_CAS1072902-75-0
- Purity/Analytical method: >99.0%
-
(3R,4R)-3-AMino-1-hydroxy-4-Methyl-2-pyrrolidinone Acetate
- CAS RN: 1072933-71-1
- Product Code: SSC-008757
-
2-CHLORO-5-FLUORO-3-PICOLINE-4-BORONIC ACID
- CAS RN: 1072944-10-5
- Product Code: SSC-008758
![CAS 1072902-75-0 N-ForMyl-L-isoleucine (1S)-1-[[(2S,3S)-3-Hexyl-4-oxo-2-oxetanyl]Methyl]dodecyl Ester molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1072902-75-0.gif)
