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CAS 1330763-78-4 7-Tert-Butyl 3-Ethyl 5,6-Dihydroimidazo[1,2-A]Pyrazine-3,7(8H)-Dicarboxylate molecular structure lightbox
CAS RN: 1330763-78-4

7-Tert-Butyl 3-Ethyl 5,6-Dihydroimidazo[1,2-A]Pyrazine-3,7(8H)-Dicarboxylate

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251208 100mg / 250mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS1330763-78-4
  • Purity/Analytical Methods: >99.0%
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1330763-78-4 / 7-O-tert-butyl 3-O-ethyl 6,8-dihydro-5H-imidazo[1,2-a]pyrazine-3,7-dicarboxylate

Standard CAS: 1330763-78-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1330763-78-4
Multi CAS
No
Molecular Formula
C14H21N3O4
Molecular Weight
295.330000
Exact Mass
295.153206
SMILES
CCOC(=O)C1=CN=C2N1CCN(C2)C(=O)OC(C)(C)C
InChI
InChI=1S/C14H21N3O4/c1-5-20-12(18)10-8-15-11-9-16(6-7-17(10)11)13(19)21-14(2,3)4/h8H,5-7,9H2,1-4H3
InChIKey
LWRLVLUSXQWAFC-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
21
Aromatic heavy atom count
5
Fraction Csp3
0.64
Rotatable bonds
2
H-bond acceptors
6
Molar refractivity
74.83
TPSA
73.66

LogP / Solubility

WLOGP
1.81
MLOGP
1.6
XLogP3
1
Consensus LogP
1.47
Log S (ESOL)
-2.86
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.29
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.32
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)
-3.24

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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