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CAS 1432058-58-6 5,6-dihydro-imidazo[1,5-a]pyrazine-3,7(8H)-dicarboxylic acid 7-(1,1-dimethylethyl) ester molecular structure lightbox
CAS RN: 1432058-58-6

5,6-dihydro-imidazo[1,5-a]pyrazine-3,7(8H)-dicarboxylic acid 7-(1,1-dimethylethyl) ester

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250106 100mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS1432058-58-6
  • Purity/Analytical Methods: >99.0%
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1432058-58-6 / 7-[(2-methylpropan-2-yl)oxycarbonyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-3-carboxylic acid

Standard CAS: 1432058-58-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1432058-58-6
Multi CAS
No
Molecular Formula
C12H17N3O4
Molecular Weight
267.280000
Exact Mass
267.121906
SMILES
CC(C)(C)OC(=O)N1CCN2C(=CN=C2C(=O)O)C1
InChI
InChI=1S/C12H17N3O4/c1-12(2,3)19-11(18)14-4-5-15-8(7-14)6-13-9(15)10(16)17/h6H,4-5,7H2,1-3H3,(H,16,17)
InChIKey
MJNSISCJYZRFHT-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
19
Aromatic heavy atom count
5
Fraction Csp3
0.58
Rotatable bonds
1
H-bond acceptors
5
H-bond donors
1
Molar refractivity
65.83
TPSA
84.66

LogP / Solubility

WLOGP
1.33
MLOGP
1.18
XLogP3
0.3
Consensus LogP
0.94
Log S (ESOL)
-2.47
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.71
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.62
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)
-3.4

Drug-likeness / Medicinal Chemistry

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

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