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CAS 1639881-13-2 tert-Butyl (6R)-6-methyl-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazine-5-carboxylate molecular structure lightbox
CAS RN: 1639881-13-2

tert-Butyl (6R)-6-methyl-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazine-5-carboxylate

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250330 100mg Out of stock 8-10 business days Inquiry
  • Product code: SSC-071554
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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 1639881-13-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

1639881-13-2 / tert-butyl (6R)-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate

Standard CAS: 1639881-13-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1639881-13-2
Multi CAS
No
Molecular Formula
C12H19N3O2
Molecular Weight
237.300000
Exact Mass
237.147727
SMILES
C[C@@H]1CN2C(=CC=N2)CN1C(=O)OC(C)(C)C
InChI
InChI=1S/C12H19N3O2/c1-9-7-15-10(5-6-13-15)8-14(9)11(16)17-12(2,3)4/h5-6,9H,7-8H2,1-4H3/t9-/m1/s1
InChIKey
DMKHMDWQRSPOAU-SECBINFHSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
5
Fraction Csp3
0.67
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
63.47
TPSA
47.36

LogP / Solubility

WLOGP
2.02
MLOGP
1.78
XLogP3
1.1
Consensus LogP
1.63
Log S (ESOL)
-2.8
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.97
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.88
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)
-2.73

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2

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