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CAS 1209487-56-8 Tert-Butyl 2-Amino-6,7-Dihydropyrazolo[1,5-A]Pyrazine-5(4H)-Carboxylate(WX141382) molecular structure lightbox
CAS RN: 1209487-56-8

Tert-Butyl 2-Amino-6,7-Dihydropyrazolo[1,5-A]Pyrazine-5(4H)-Carboxylate(WX141382)

  • Product code: SSC-022290
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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: 0.25g, 1g, 5g, 10g
  • 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 1209487-56-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Hong Kong Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry
5g ≥95% 0 Out of Stock Shanghai Inquiry
10g ≥95% 0 Out of Stock Beijing Inquiry

1209487-56-8 / tert-butyl 2-amino-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate

tert-Butyl 2-Amino-6,7-dihydropyrazolo[1,5-a]pyrazine-5(4H)-carboxylate | TERT-BUTYL 2-AMINO-6,7-DIHYDROPYRAZOLO(1,5-A)PYRAZINE-5(4H)-CARBOXYLATE | RefChem:892497

Standard CAS: 1209487-56-8 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1209487-56-8
Multi CAS
Yes
Molecular Formula
C11H18N4O2
Molecular Weight
238.290000
Exact Mass
238.142976
SMILES
CC(C)(C)OC(=O)N1CCN2C(=CC(=N2)N)C1
InChI
InChI=1S/C11H18N4O2/c1-11(2,3)17-10(16)14-4-5-15-8(7-14)6-9(12)13-15/h6H,4-5,7H2,1-3H3,(H2,12,13)
InChIKey
ZFTDHMFOVBQLSF-UHFFFAOYSA-N
Synonyms
tert-Butyl 2-Amino-6,7-dihydropyrazolo[1,5-a]pyrazine-5(4H)-carboxylate TERT-BUTYL 2-AMINO-6,7-DIHYDROPYRAZOLO(1,5-A)PYRAZINE-5(4H)-CARBOXYLATE RefChem:892497 810-671-9 tert-butyl 2-amino-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
5
Fraction Csp3
0.64
Rotatable bonds
2
H-bond acceptors
5
H-bond donors
1
Molar refractivity
63.28
TPSA
73.38

LogP / Solubility

WLOGP
1.22
MLOGP
1.07
XLogP3
0.3
Consensus LogP
0.86
Log S (ESOL)
-2.3
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.39
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.22
Class (SILICOS-IT)
Moderately 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)
-3.31

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (50%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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