![CAS 356568-70-2 3-amino-5-(4-benzylphenyl)thieno[2,3-d]pyrimidin-4(3H)-one molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/356568-70-2(2).gif)
CAS RN: 356568-70-2
3-amino-5-(4-benzylphenyl)thieno[2,3-d]pyrimidin-4(3H)-one
Product Availability
Choose a grade to view its available package options.
6 package records5 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250605 | 5mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS356568-70-2
- Purity/Analytical Methods: >99.0%
356568-70-2 / 3-amino-5-(4-benzylphenyl)thieno[2,3-d]pyrimidin-4-one
Basic Information
CAS
356568-70-2
Multi CAS
No
Molecular Formula
C19H15N3OS
Molecular Weight
333.400000
Exact Mass
333.093583
InChI
InChI=1S/C19H15N3OS/c20-22-12-21-18-17(19(22)23)16(11-24-18)15-8-6-14(7-9-15)10-13-4-2-1-3-5-13/h1-9,11-12H,10,20H2
InChIKey
OCBXPCSXEQQADU-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
24
Aromatic heavy atom count
21
Fraction Csp3
0.05
Rotatable bonds
3
H-bond acceptors
5
H-bond donors
1
Molar refractivity
98.71
TPSA
60.91
LogP / Solubility
WLOGP
3.43
MLOGP
3.03
XLogP3
3.7
Consensus LogP
3.39
Log S (ESOL)
-4.52
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.77
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.03
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.32
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
3
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