CAS RN: 38201-61-5
(1)benzothieno(2,3-d)pyrimidin-4(1h)-one,2,3,5,6,7,8-hexahydro-3-methyl-2-thio
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.20250404 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS38201-61-5
- Purity/Analytical Methods: >99.0%
38201-61-5 / 3-methyl-2-sulfanylidene-5,6,7,8-tetrahydro-1H-[1]benzothiolo[2,3-d]pyrimidin-4-one
Basic Information
CAS
38201-61-5
Multi CAS
Yes
Molecular Formula
C11H12N2OS2
Molecular Weight
252.400000
Exact Mass
252.039105
InChI
InChI=1S/C11H12N2OS2/c1-13-10(14)8-6-4-2-3-5-7(6)16-9(8)12-11(13)15/h2-5H2,1H3,(H,12,15)
InChIKey
PFSZMGIUBHSQKS-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
9
Fraction Csp3
0.45
H-bond acceptors
4
H-bond donors
1
Molar refractivity
68.89
TPSA
37.79
LogP / Solubility
WLOGP
2.54
MLOGP
2.24
XLogP3
2.5
Consensus LogP
2.43
Log S (ESOL)
-3.42
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.46
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.41
Class (SILICOS-IT)
Poorly 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)
-2.46
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5
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