![CAS 1228666-56-5 7-Bromo-2-methylpyrido[3,2-d]pyrimidin-4-ol molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1228666-56-5.gif)
CAS RN: 1228666-56-5
7-Bromo-2-methylpyrido[3,2-d]pyrimidin-4-ol
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250506 | 100mg / 250mg / 1g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS1228666-56-5
- Purity/Analytical Methods: >99.0%
1228666-56-5 / 7-bromo-2-methyl-3H-pyrido[3,2-d]pyrimidin-4-one
Basic Information
CAS
1228666-56-5
Multi CAS
No
Molecular Formula
C8H6BrN3O
Molecular Weight
240.060000
Exact Mass
238.969420
SMILES
CC1=NC2=C(C(=O)N1)N=CC(=C2)Br
InChI
InChI=1S/C8H6BrN3O/c1-4-11-6-2-5(9)3-10-7(6)8(13)12-4/h2-3H,1H3,(H,11,12,13)
InChIKey
SUAHOXUNIGVBOJ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
10
Fraction Csp3
0.12
H-bond acceptors
3
H-bond donors
1
Molar refractivity
52.6
TPSA
58.64
LogP / Solubility
WLOGP
1.39
MLOGP
1.23
XLogP3
0.6
Consensus LogP
1.07
Log S (ESOL)
-2.77
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.53
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.37
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)
-3.2
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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