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CAS 1188265-64-6 TERT-BUTYL 1-BROMO-5,6-DIHYDROIMIDAZO[1,5-A]PYRAZINE-7(8H)-CARBOXYLATE molecular structure lightbox
CAS RN: 1188265-64-6

TERT-BUTYL 1-BROMO-5,6-DIHYDROIMIDAZO[1,5-A]PYRAZINE-7(8H)-CARBOXYLATE

  • Product code: SSC-019049
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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, 1g, 5g, 10g
  • Available purity: ＞97%
  • 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 1188265-64-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ＞97% 0 Out of Stock Shanghai Inquiry
1g ＞97% 0 Out of Stock Shanghai Inquiry
5g ＞97% 0 Out of Stock Beijing Inquiry
10g ＞97% 0 Out of Stock Shenzhen Inquiry

1188265-64-6 / tert-butyl 1-bromo-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxylate

tert-butyl 1-bromo-5,6-dihydroimidazo[1,5-a]pyrazine-7(8H)-carboxylate | MFCD13152218 | tert-butyl 1-bromo-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxylate

Standard CAS: 1188265-64-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1188265-64-6
Multi CAS
No
Molecular Formula
C11H16BrN3O2
Molecular Weight
302.170000
Exact Mass
301.042590
SMILES
CC(C)(C)OC(=O)N1CCN2C=NC(=C2C1)Br
InChI
InChI=1S/C11H16BrN3O2/c1-11(2,3)17-10(16)14-4-5-15-7-13-9(12)8(15)6-14/h7H,4-6H2,1-3H3
InChIKey
YUTYOQIUBBQNMG-UHFFFAOYSA-N
Synonyms
tert-butyl 1-bromo-5,6-dihydroimidazo[1,5-a]pyrazine-7(8H)-carboxylate MFCD13152218 tert-butyl 1-bromo-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxylate tert-Butyl1-bromo-5,6-dihydroimidazo[1,5-a]pyrazine-7(8H)-carboxylate tert-butyl 1-bromo-5H,6H,7H,8H-imidazo[1,5-a]pyrazine-7-carboxylate

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
5
Fraction Csp3
0.64
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
66.57
TPSA
47.36

LogP / Solubility

WLOGP
2.4
MLOGP
2.12
XLogP3
1.5
Consensus LogP
2.01
Log S (ESOL)
-3.44
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.77
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.61
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.86

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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