![CAS 331761-45-6 5-(4-chlorophenyl)thieno[2,3-d]pyrimidin-4(3H)-one molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/331761-45-6.gif)
CAS RN: 331761-45-6
5-(4-chlorophenyl)thieno[2,3-d]pyrimidin-4(3H)-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.20260112 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS331761-45-6
- Purity/Analytical Methods: >99.0%
331761-45-6 / 5-(4-chlorophenyl)-3H-thieno[2,3-d]pyrimidin-4-one
Basic Information
CAS
331761-45-6
Multi CAS
Yes
Molecular Formula
C12H7CLN2OS
Molecular Weight
262.720000
Exact Mass
261.996762
InChI
InChI=1S/C12H7ClN2OS/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
VSUODCNBLBXSNB-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
70.69
TPSA
45.75
LogP / Solubility
WLOGP
3.31
MLOGP
2.92
XLogP3
3
Consensus LogP
3.08
Log S (ESOL)
-4.14
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.1
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.23
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.98
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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![CAS 331761-46-7 4-CHLORO-5-(4-CHLOROPHENYL)THIENO[2,3-D]PYRIMIDINE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/331761-46-7.gif)
