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CAS 1822512-31-1 7-(Tert-Butoxycarbonyl)-5,6,7,8-Tetrahydroimidazo[1,5-A]Pyrazine-5-Carboxylic Acid(WX141780) molecular structure lightbox
CAS RN: 1822512-31-1

7-(Tert-Butoxycarbonyl)-5,6,7,8-Tetrahydroimidazo[1,5-A]Pyrazine-5-Carboxylic Acid(WX141780)

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251227 100mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS1822512-31-1
  • Purity/Analytical Methods: >99.0%
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1822512-31-1 / 7-[(2-methylpropan-2-yl)oxycarbonyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-5-carboxylic acid

Standard CAS: 1822512-31-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1822512-31-1
Multi CAS
No
Molecular Formula
C12H17N3O4
Molecular Weight
267.280000
Exact Mass
267.121906
SMILES
CC(C)(C)OC(=O)N1CC(N2C=NC=C2C1)C(=O)O
InChI
InChI=1S/C12H17N3O4/c1-12(2,3)19-11(18)14-5-8-4-13-7-15(8)9(6-14)10(16)17/h4,7,9H,5-6H2,1-3H3,(H,16,17)
InChIKey
WJCYZEZVBMBACS-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
65.54
TPSA
84.66

LogP / Solubility

WLOGP
1.26
MLOGP
1.12
XLogP3
0.2
Consensus LogP
0.86
Log S (ESOL)
-2.42
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.66
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.56
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)
-3.46

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2

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