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CAS 1131041-58-1 3-methyl-1H-pyrazolo[3,4-… molecular structure lightbox
CAS RN: 1131041-58-1

3-methyl-1H-pyrazolo[3,4-…

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250624 100mg Out of stock 5-7 business days Inquiry
  • Product code: SSC-013297
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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
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1131041-58-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

1131041-58-1 / 3-methyl-2H-pyrazolo[3,4-b]pyrazine

3-METHYL-1H-PYRAZOLO[4,3-B]PYRAZINE | 3-Methyl-1H-pyrazolo(4,3-b)pyrazine | RefChem:503547

Standard CAS: 1131041-58-1 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1131041-58-1
Multi CAS
No
Molecular Formula
C6H6N4
Molecular Weight
134.140000
Exact Mass
134.059246
SMILES
CC1=C2C(=NN1)N=CC=N2
InChI
InChI=1S/C6H6N4/c1-4-5-6(10-9-4)8-3-2-7-5/h2-3H,1H3,(H,8,9,10)
InChIKey
QIXKPYPWMQXIGY-UHFFFAOYSA-N
Synonyms
3-METHYL-1H-PYRAZOLO[4,3-B]PYRAZINE 3-Methyl-1H-pyrazolo(4,3-b)pyrazine RefChem:503547 851-602-2 3-METHYL-1H-PYRAZOLO[3,4-B]PYRAZINE

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
9
Fraction Csp3
0.17
H-bond acceptors
3
H-bond donors
1
Molar refractivity
36.42
TPSA
54.46

LogP / Solubility

WLOGP
0.66
MLOGP
0.57
XLogP3
0.2
Consensus LogP
0.48
Log S (ESOL)
-1.75
Class (ESOL)
Soluble
Log S (Ali)
-1.14
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.08
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)
-3.07

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302+H312+H332 (100%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]
Precautionary Statement Codes
P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, and P501

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