![CAS 885272-29-7 8-CHLORO-2H-ISOTHIAZOLO[5,4-B]QUINOLIZINE-3,4-DIONE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/885272-29-7.gif)
CAS RN: 885272-29-7
8-CHLORO-2H-ISOTHIAZOLO[5,4-B]QUINOLIZINE-3,4-DIONE
- Product code: SSC-199332
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 0.25g
- Available purity: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 0.25g | ≥95% | 0 Out of Stock | Beijing | Inquiry |
885272-29-7 / 8-chloro-[1,2]thiazolo[5,4-b]quinolizine-3,4-dione
Basic Information
CAS
885272-29-7
Multi CAS
No
Molecular Formula
C10H5CLN2O2S
Molecular Weight
252.680000
Exact Mass
251.976026
InChI
InChI=1S/C10H5ClN2O2S/c11-5-1-2-13-6(3-5)4-7-8(10(13)15)9(14)12-16-7/h1-4H,(H,12,14)
InChIKey
MMAAAXPWHGCXHO-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
13
H-bond acceptors
4
H-bond donors
1
Molar refractivity
64.68
TPSA
54.34
LogP / Solubility
WLOGP
1.86
MLOGP
1.64
XLogP3
0.9
Consensus LogP
1.47
Log S (ESOL)
-3.18
Class (ESOL)
Poorly soluble
Log S (Ali)
-2.97
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.84
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.94
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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