![CAS 1187929-23-2 Ethyl 5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine-1-carboxylate hydrochloride molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/1187929-23-2.png)
CAS RN: 1187929-23-2
Ethyl 5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine-1-carboxylate hydrochloride
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250703 | 100mg / 250mg | Out of stock | 15 business days | Inquiry |
- Product code: LINE900622
1187929-23-2 / ethyl 5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine-1-carboxylate;hydrochloride
ethyl 5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine-1-carboxylate hydrochloride | 5,6,7,8-Tetrahydro-imidazo[1,5-a]pyrazine-1-carboxylic acid ethyl ester hydrochloride | MFCD11858399
Basic Information
CAS
1187929-23-2
Multi CAS
No
Molecular Formula
C9H14ClN3O2
Molecular Weight
231.680000
Exact Mass
231.077454
SMILES
CCOC(=O)C1=C2CNCCN2C=N1.Cl
InChI
InChI=1S/C9H13N3O2.ClH/c1-2-14-9(13)8-7-5-10-3-4-12(7)6-11-8;/h6,10H,2-5H2,1H3;1H
InChIKey
LYXIWXDEKFMUBG-UHFFFAOYSA-N
Synonyms
ethyl 5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine-1-carboxylate hydrochloride
5,6,7,8-Tetrahydro-imidazo[1,5-a]pyrazine-1-carboxylic acid ethyl ester hydrochloride
MFCD11858399
ethyl 5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine-1-carboxylate;hydrochloride
ethyl 5H,6H,7H,8H-imidazo[1,5-a]pyrazine-1-carboxylate hydrochloride
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
5
Fraction Csp3
0.56
Rotatable bonds
2
H-bond acceptors
5
H-bond donors
1
Molar refractivity
57.14
TPSA
56.15
LogP / Solubility
WLOGP
0.58
MLOGP
0.52
XLogP3
0.58
Consensus LogP
0.56
Log S (ESOL)
-1.76
Class (ESOL)
Soluble
Log S (Ali)
-1.88
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.89
Class (SILICOS-IT)
Soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.72
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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