![CAS 1638768-76-9 6-CHLORO-3-METHYL-1H-PYRAZOLO[3,4-B]PYRAZINE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1638768-76-9.gif)
CAS RN: 1638768-76-9
6-CHLORO-3-METHYL-1H-PYRAZOLO[3,4-B]PYRAZINE
- Product code: SSC-071442
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 |
1638768-76-9 / 6-chloro-3-methyl-2H-pyrazolo[3,4-b]pyrazine
Basic Information
CAS
1638768-76-9
Multi CAS
No
Molecular Formula
C6H5ClN4
Molecular Weight
168.580000
Exact Mass
168.020274
SMILES
CC1=C2C(=NN1)N=C(C=N2)Cl
InChI
InChI=1S/C6H5ClN4/c1-3-5-6(11-10-3)9-4(7)2-8-5/h2H,1H3,(H,9,10,11)
InChIKey
XWDHIHSKVTWZCO-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
9
Fraction Csp3
0.17
H-bond acceptors
3
H-bond donors
1
Molar refractivity
41.43
TPSA
54.46
LogP / Solubility
WLOGP
1.31
MLOGP
1.15
XLogP3
1.2
Consensus LogP
1.22
Log S (ESOL)
-2.32
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.89
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.85
Class (SILICOS-IT)
Soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.81
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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