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CAS 1215852-11-1 7-tert-butyl 3-ethyl 5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazine-3,7(8H)-dicarboxylate molecular structure lightbox
CAS RN: 1215852-11-1

7-tert-butyl 3-ethyl 5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazine-3,7(8H)-dicarboxylate

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250203 100mg / 250mg / 1g / 5g Out of stock 5-7 business days Inquiry
  • Product code: SSC-024125
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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
  • Available purity: >97%
  • 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 1215852-11-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g >97% 0 Out of Stock Hong Kong Inquiry
1g >97% 0 Out of Stock Shenzhen Inquiry
5g >97% 0 Out of Stock Shanghai Inquiry

1215852-11-1 / 7-O-tert-butyl 3-O-ethyl 6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-3,7-dicarboxylate

Standard CAS: 1215852-11-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1215852-11-1
Multi CAS
No
Molecular Formula
C13H20N4O4
Molecular Weight
296.320000
Exact Mass
296.148455
SMILES
CCOC(=O)C1=NN=C2N1CCN(C2)C(=O)OC(C)(C)C
InChI
InChI=1S/C13H20N4O4/c1-5-20-11(18)10-15-14-9-8-16(6-7-17(9)10)12(19)21-13(2,3)4/h5-8H2,1-4H3
InChIKey
MNWBJXRJIWJHHY-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
21
Aromatic heavy atom count
5
Fraction Csp3
0.69
Rotatable bonds
2
H-bond acceptors
7
Molar refractivity
72.62
TPSA
86.55

LogP / Solubility

WLOGP
1.21
MLOGP
1.07
XLogP3
0.4
Consensus LogP
0.89
Log S (ESOL)
-2.48
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.86
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.83
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.67

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2.5

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