![CAS 315685-18-8 2-[(2-oxopropyl)sulfanyl]-3-phenyl-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-one molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/315685-18-8.gif)
CAS RN: 315685-18-8
2-[(2-oxopropyl)sulfanyl]-3-phenyl-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-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.20250523 | 5mg / 25mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS315685-18-8
- Purity/Analytical Methods: >99.0%
315685-18-8 / 10-(2-oxopropylsulfanyl)-11-phenyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-12-one
Basic Information
CAS
315685-18-8
Multi CAS
No
Molecular Formula
C18H16N2O2S2
Molecular Weight
356.500000
Exact Mass
356.065320
InChI
InChI=1S/C18H16N2O2S2/c1-11(21)10-23-18-19-16-15(13-8-5-9-14(13)24-16)17(22)20(18)12-6-3-2-4-7-12/h2-4,6-7H,5,8-10H2,1H3
InChIKey
DGHPVZUUKBPMPF-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
24
Aromatic heavy atom count
15
Fraction Csp3
0.28
Rotatable bonds
4
H-bond acceptors
6
Molar refractivity
98.65
TPSA
51.96
LogP / Solubility
WLOGP
3.62
MLOGP
3.2
XLogP3
3.8
Consensus LogP
3.54
Log S (ESOL)
-4.53
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.09
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.46
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
Yes
Log Kp (skin permeation)
-2.33
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3
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