![CAS 769858-09-5 2,3,4,5-tetrahydrobenzo[f][1,4]thiazepine1,1-dioxide molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/769858-09-5.gif)
CAS RN: 769858-09-5
2,3,4,5-tetrahydrobenzo[f][1,4]thiazepine1,1-dioxide
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.20260327 | 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: SSC-186430
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 | Shanghai | Inquiry |
769858-09-5 / 2,3,4,5-tetrahydro-1lambda6,4-benzothiazepine 1,1-dioxide
Basic Information
CAS
769858-09-5
Multi CAS
Yes
Molecular Formula
C9H11NO2S
Molecular Weight
197.260000
Exact Mass
197.051050
InChI
InChI=1S/C9H11NO2S/c11-13(12)6-5-10-7-8-3-1-2-4-9(8)13/h1-4,10H,5-7H2
InChIKey
UGWMPDCDNBCROY-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.33
H-bond acceptors
3
H-bond donors
1
Molar refractivity
50.2
TPSA
46.17
LogP / Solubility
WLOGP
0.56
MLOGP
0.5
XLogP3
0.3
Consensus LogP
0.45
Log S (ESOL)
-1.76
Class (ESOL)
Soluble
Log S (Ali)
-1.58
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.41
Class (SILICOS-IT)
Soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.52
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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