CAS RN: 869632-08-6
WAY-325809
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.20260211 | 5mg / 10mg / 25mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS869632-08-6
- Purity/Analytical Methods: >99.0%
869632-08-6 / 8-oxa-12,16-dithia-14-azatetracyclo[8.7.0.02,7.013,17]heptadeca-2,4,6,13(17)-tetraen-15-one
Basic Information
CAS
869632-08-6
Multi CAS
No
Molecular Formula
C13H11NO2S2
Molecular Weight
277.400000
Exact Mass
277.023121
InChI
InChI=1S/C13H11NO2S2/c15-13-14-12-11(18-13)10-7(6-17-12)5-16-9-4-2-1-3-8(9)10/h1-4,7,10H,5-6H2,(H,14,15)
InChIKey
ALZXUICHTVTLKW-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
11
Fraction Csp3
0.31
H-bond acceptors
4
H-bond donors
1
Molar refractivity
72.93
TPSA
42.09
LogP / Solubility
WLOGP
2.68
MLOGP
2.37
XLogP3
2.5
Consensus LogP
2.52
Log S (ESOL)
-3.7
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.77
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.69
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)
-2.51
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
PAINS alerts
1
Leadlikeness
Yes
Synthetic Accessibility
3
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