![CAS 736990-40-2 7-broMo-1H,2H,3H,4H-pyrrolo[1,2-a]pyrazin-1-one molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/736990-40-2.gif)
CAS RN: 736990-40-2
7-broMo-1H,2H,3H,4H-pyrrolo[1,2-a]pyrazin-1-one
Product Availability
Choose a grade to view its available package options.
3 package records1 with current stock1 grade group
- Product code: SSC-183108
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: 1g
- Available purity: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Shanghai | Inquiry |
736990-40-2 / 7-bromo-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-1-one
Basic Information
CAS
736990-40-2
Multi CAS
No
Molecular Formula
BC7H7ORn2
Molecular Weight
215.050000
Exact Mass
213.974180
InChI
InChI=1S/C7H7BrN2O/c8-5-3-6-7(11)9-1-2-10(6)4-5/h3-4H,1-2H2,(H,9,11)
InChIKey
UIOJOBWZDXFHKG-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
5
Fraction Csp3
0.29
H-bond acceptors
2
H-bond donors
1
Molar refractivity
44.47
TPSA
34.03
LogP / Solubility
WLOGP
0.99
MLOGP
0.88
XLogP3
0.7
Consensus LogP
0.86
Log S (ESOL)
-2.14
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.04
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-1.88
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)
-3.33
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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