![CAS 307512-24-9 5-(4-BROMO-PHENYL)-3H-THIENO[2,3-D]PYRIMIDIN-4-ONE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB7393312(1).gif)
CAS RN: 307512-24-9
5-(4-BROMO-PHENYL)-3H-THIENO[2,3-D]PYRIMIDIN-4-ONE
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.20260505 | 100mg / 250mg / 500mg | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS307512-24-9
- Purity/Analytical Methods: >99.0%
307512-24-9 / 5-(4-bromophenyl)-3H-thieno[2,3-d]pyrimidin-4-one
Basic Information
CAS
307512-24-9
Multi CAS
Yes
Molecular Formula
BC12H7ORn2S
Molecular Weight
307.170000
Exact Mass
305.946250
InChI
InChI=1S/C12H7BrN2OS/c13-8-3-1-7(2-4-8)9-5-17-12-10(9)11(16)14-6-15-12/h1-6H,(H,14,15,16)
InChIKey
MGLDBSICXJAWCJ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
15
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
73.38
TPSA
45.75
LogP / Solubility
WLOGP
3.41
MLOGP
3.02
XLogP3
3
Consensus LogP
3.14
Log S (ESOL)
-4.48
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.54
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.61
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.17
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5
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