![CAS 709652-84-6 7-BROMO-3,4-DIHYDROPYRIDO[2,3-B]PYRAZIN-2(1H)-ONE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/709652-84-6.gif)
CAS RN: 709652-84-6
7-BROMO-3,4-DIHYDROPYRIDO[2,3-B]PYRAZIN-2(1H)-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.20260629 | 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS709652-84-6
- Purity/Analytical Methods: >99.0%
709652-84-6 / 7-bromo-3,4-dihydro-1H-pyrido[2,3-b]pyrazin-2-one
Basic Information
CAS
709652-84-6
Multi CAS
No
Molecular Formula
BC7H6ORn3
Molecular Weight
228.050000
Exact Mass
226.969420
InChI
InChI=1S/C7H6BrN3O/c8-4-1-5-7(9-2-4)10-3-6(12)11-5/h1-2H,3H2,(H,9,10)(H,11,12)
InChIKey
YUBCVDJYDUKAAJ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.14
H-bond acceptors
3
H-bond donors
2
Molar refractivity
49.06
TPSA
54.02
LogP / Solubility
WLOGP
1.21
MLOGP
1.07
XLogP3
0.8
Consensus LogP
1.03
Log S (ESOL)
-2.39
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.3
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.15
Class (SILICOS-IT)
Moderately 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)
-3.25
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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