![CAS 1620675-62-8 (6R,8aS)-6-(8-amino-1-bromoimidazo[1,5-a]pyrazin-3-yl)hexahydroindolizin-3(2H)-one molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1620675-62-8.gif)
CAS RN: 1620675-62-8
(6R,8aS)-6-(8-amino-1-bromoimidazo[1,5-a]pyrazin-3-yl)hexahydroindolizin-3(2H)-one
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260224 | 50mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1620675-62-8
- Purity/Analytical Methods: >99.0%
1620675-62-8 / (6R,8aS)-6-(8-amino-1-bromoimidazo[1,5-a]pyrazin-3-yl)-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one
Basic Information
CAS
1620675-62-8
Multi CAS
No
Molecular Formula
C14H16BrN5O
Molecular Weight
350.210000
Exact Mass
349.053820
SMILES
C1C[C@H](CN2[C@@H]1CCC2=O)C3=NC(=C4N3C=CN=C4N)Br
InChI
InChI=1S/C14H16BrN5O/c15-12-11-13(16)17-5-6-19(11)14(18-12)8-1-2-9-3-4-10(21)20(9)7-8/h5-6,8-9H,1-4,7H2,(H2,16,17)/t8-,9+/m1/s1
InChIKey
NAAAINROMKRIPK-BDAKNGLRSA-N
Computed Properties
Structural Parameters
Heavy atom count
21
Aromatic heavy atom count
9
Fraction Csp3
0.5
Rotatable bonds
1
H-bond acceptors
5
H-bond donors
1
Molar refractivity
81.81
TPSA
76.52
LogP / Solubility
WLOGP
1.94
MLOGP
1.73
XLogP3
1.7
Consensus LogP
1.79
Log S (ESOL)
-3.49
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.83
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.67
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.48
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
4
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