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CAS 1820647-54-8 1-tert-Butyl 6-ethyl 2,3-dihydro-1H-imidazo[1,2-b]pyrazole-1,6-dicarboxylate molecular structure lightbox
CAS RN: 1820647-54-8

1-tert-Butyl 6-ethyl 2,3-dihydro-1H-imidazo[1,2-b]pyrazole-1,6-dicarboxylate

Product Availability

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2 package records0 with current stock2 grade groups
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250520 100mg Out of stock Inquiry
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250630 100mg / 250mg Out of stock 5-7 business days Inquiry
  • Product code: SSC-082855
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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 1820647-54-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞95% 0 Out of Stock Shanghai Inquiry

1820647-54-8 / 1-O-tert-butyl 6-O-ethyl 2,3-dihydroimidazo[2,1-e]pyrazole-1,6-dicarboxylate

Standard CAS: 1820647-54-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1820647-54-8
Multi CAS
No
Molecular Formula
C13H19N3O4
Molecular Weight
281.310000
Exact Mass
281.137556
SMILES
CCOC(=O)C1=NN2CCN(C2=C1)C(=O)OC(C)(C)C
InChI
InChI=1S/C13H19N3O4/c1-5-19-11(17)9-8-10-15(6-7-16(10)14-9)12(18)20-13(2,3)4/h8H,5-7H2,1-4H3
InChIKey
GKRDRKRLEUQWGO-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
20
Aromatic heavy atom count
5
Fraction Csp3
0.62
Rotatable bonds
2
H-bond acceptors
6
Molar refractivity
71.76
TPSA
73.66

LogP / Solubility

WLOGP
1.81
MLOGP
1.61
XLogP3
1.6
Consensus LogP
1.67
Log S (ESOL)
-2.78
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.18
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.23
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.15

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5

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