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CAS 1174068-98-4 2-Formyl-5,6-Dihydro-8H-Imidazo[1,2-A]Pyrazine-7-Carboxylic Acid Tert-Butyl Ester(WX140297) molecular structure lightbox
CAS RN: 1174068-98-4

2-Formyl-5,6-Dihydro-8H-Imidazo[1,2-A]Pyrazine-7-Carboxylic Acid Tert-Butyl Ester(WX140297)

  • Product code: SSC-017281
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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
  • 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 1174068-98-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Shanghai Inquiry

1174068-98-4 / tert-butyl 2-formyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxylate

2-Formyl-5,6-dihydro-8H-imidazo[1,2-a]pyrazine-7-carboxylic acid tert-butyl ester | MFCD18792287 | tert-butyl 2-formyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxylate

Standard CAS: 1174068-98-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1174068-98-4
Multi CAS
No
Molecular Formula
C12H17N3O3
Molecular Weight
251.280000
Exact Mass
251.126991
SMILES
CC(C)(C)OC(=O)N1CCN2C=C(N=C2C1)C=O
InChI
InChI=1S/C12H17N3O3/c1-12(2,3)18-11(17)15-5-4-14-6-9(8-16)13-10(14)7-15/h6,8H,4-5,7H2,1-3H3
InChIKey
YBIAJWQTOPJNPJ-UHFFFAOYSA-N
Synonyms
2-Formyl-5,6-dihydro-8H-imidazo[1,2-a]pyrazine-7-carboxylic acid tert-butyl ester MFCD18792287 tert-butyl 2-formyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxylate tert-butyl 2-formyl-5,6-dihydroimidazo[1,2-a]pyrazine-7(8h)-carboxylate tert-butyl 2-formyl-5H,6H,7H,8H-imidazo[1,2-a]pyrazine-7-carboxylate

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
5
Fraction Csp3
0.58
Rotatable bonds
1
H-bond acceptors
5
Molar refractivity
64.26
TPSA
64.43

LogP / Solubility

WLOGP
1.45
MLOGP
1.28
XLogP3
0.2
Consensus LogP
0.98
Log S (ESOL)
-2.45
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.66
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.61
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.23

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5

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