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CAS 1394003-66-7 Tert-butyl pyrazolo[1,5-a]pyriMidin-3-ylcarbaMate molecular structure lightbox
CAS RN: 1394003-66-7

Tert-butyl pyrazolo[1,5-a]pyriMidin-3-ylcarbaMate

Product Availability

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3 package records2 with current stock3 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250717 100mg / 250mg / 1g / 5g / 25g Confirm by inquiry Shanghai 5-7 business days Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260420 100mg Out of stock 8-10 business days Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250831 100mg / 250mg / 1g Confirm by inquiry Shanghai 8-10 business days Inquiry
  • Product code: SSC-049988
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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 1394003-66-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

1394003-66-7 / tert-butyl N-pyrazolo[1,5-a]pyrimidin-3-ylcarbamate

Standard CAS: 1394003-66-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1394003-66-7
Multi CAS
No
Molecular Formula
C11H14N4O2
Molecular Weight
234.250000
Exact Mass
234.111676
SMILES
CC(C)(C)OC(=O)NC1=C2N=CC=CN2N=C1
InChI
InChI=1S/C11H14N4O2/c1-11(2,3)17-10(16)14-8-7-13-15-6-4-5-12-9(8)15/h4-7H,1-3H3,(H,14,16)
InChIKey
XEEBWARTSKGTSY-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
9
Fraction Csp3
0.36
Rotatable bonds
1
H-bond acceptors
5
H-bond donors
1
Molar refractivity
62.84
TPSA
68.52

LogP / Solubility

WLOGP
2.08
MLOGP
1.83
XLogP3
0.9
Consensus LogP
1.6
Log S (ESOL)
-2.93
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.98
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.03
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.67

Drug-likeness / Medicinal Chemistry

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

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