![CAS 1000576-75-9 7-tert-butyl 2-ethyl 3-bromo-5,6-dihydroimidazo[1,2-a]pyrazine-2,7(8H)-dicarboxylate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1000576-75-9.gif)
CAS RN: 1000576-75-9
7-tert-butyl 2-ethyl 3-bromo-5,6-dihydroimidazo[1,2-a]pyrazine-2,7(8H)-dicarboxylate
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260112 | 100mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1000576-75-9
- Purity/Analytical Methods: >99.0%
1000576-75-9 / 7-O-tert-butyl 2-O-ethyl 3-bromo-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2,7-dicarboxylate
1000576-75-9 | 7-TERT-BUTYL 2-ETHYL 3-BROMO-5,6-DIHYDROIMIDAZO[1,2-A]PYRAZINE-2,7(8H)-DICARBOXYLATE | Ethyl 7-(tert-Butoxycarbonyl)-3-bromo-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine-2-carboxylate
Basic Information
CAS
1000576-75-9
Multi CAS
Yes
Molecular Formula
C14H20BrN3O4
Molecular Weight
374.230000
Exact Mass
373.063720
SMILES
CCOC(=O)C1=C(N2CCN(CC2=N1)C(=O)OC(C)(C)C)Br
InChI
InChI=1S/C14H20BrN3O4/c1-5-21-12(19)10-11(15)18-7-6-17(8-9(18)16-10)13(20)22-14(2,3)4/h5-8H2,1-4H3
InChIKey
NYSOBEDMCSUCQS-UHFFFAOYSA-N
Synonyms
1000576-75-9
7-TERT-BUTYL 2-ETHYL 3-BROMO-5,6-DIHYDROIMIDAZO[1,2-A]PYRAZINE-2,7(8H)-DICARBOXYLATE
Ethyl 7-(tert-Butoxycarbonyl)-3-bromo-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine-2-carboxylate
MFCD09878582
7-O-tert-butyl 2-O-ethyl 3-bromo-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2,7-dicarboxylate
Computed Properties
Structural Parameters
Heavy atom count
22
Aromatic heavy atom count
5
Fraction Csp3
0.64
Rotatable bonds
2
H-bond acceptors
6
Molar refractivity
82.53
TPSA
73.66
LogP / Solubility
WLOGP
2.57
MLOGP
2.29
XLogP3
2
Consensus LogP
2.29
Log S (ESOL)
-3.82
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.49
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.47
Class (SILICOS-IT)
Slightly 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
Yes
Log Kp (skin permeation)
-3.18
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
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