![CAS 3159-07-7 Dibenzo[b,f][1,4]thiazepin-11(10H)-one molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/d3693-jpgcontextbwfzdgvyfhjvb3r8mzc1mdf8aw1hz2uvanblz3xomjkvadgylzg5mzaymty5njgymjivrdm2otmuanbnfdkxmjzhodk0mddkotg3ztm1mmq3mta2nzmxzjiwodbjngnhmtvjowq5nda2njk3mwm2ndljntbhywzmntu5mjm.jpeg)
CAS RN: 3159-07-7
Dibenzo[b,f][1,4]thiazepin-11(10H)-one
Product Availability
Choose a grade to view its available package options.
4 package records4 with current stock1 grade group
- Product code: SSC-137005
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: 100g
- Available purity: ≥97%
- 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 |
|---|---|---|---|---|
| 100g | ≥97% | 0 Out of Stock | Shanghai | Inquiry |
3159-07-7 / 5H-benzo[b][1,4]benzothiazepin-6-one
Basic Information
CAS
3159-07-7
Multi CAS
Yes
Molecular Formula
C13H9NOS
Molecular Weight
227.280000
Exact Mass
227.040485
InChI
InChI=1S/C13H9NOS/c15-13-9-5-1-3-7-11(9)16-12-8-4-2-6-10(12)14-13/h1-8H,(H,14,15)
InChIKey
RTERDTBXBYNZIS-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
12
H-bond acceptors
2
H-bond donors
1
Molar refractivity
64.96
TPSA
29.1
LogP / Solubility
WLOGP
3.4
MLOGP
3
XLogP3
2.9
Consensus LogP
3.1
Log S (ESOL)
-3.95
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.88
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.96
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)
-1.69
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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