CAS RN: 145903-31-7
2,3,4,5-Tetrahydro-7-methoxy-1,4-benzothiazepine
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.20260506 | 100mg / 250mg / 1g / 5g | Out of stock | 15 business days | Inquiry |
- Product code: SSC-057068
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: 5g
- 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 |
|---|---|---|---|---|
| 5g | ≥95% | 0 Out of Stock | Shenzhen | Inquiry |
145903-31-7 / 7-methoxy-2,3,4,5-tetrahydro-1,4-benzothiazepine
Basic Information
CAS
145903-31-7
Multi CAS
No
Molecular Formula
C10H13NOS
Molecular Weight
195.280000
Exact Mass
195.071785
SMILES
COC1=CC2=C(C=C1)SCCNC2
InChI
InChI=1S/C10H13NOS/c1-12-9-2-3-10-8(6-9)7-11-4-5-13-10/h2-3,6,11H,4-5,7H2,1H3
InChIKey
VXSSDKLUAZVADY-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.4
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
55.42
TPSA
21.26
LogP / Solubility
WLOGP
1.89
MLOGP
1.66
XLogP3
1.5
Consensus LogP
1.68
Log S (ESOL)
-2.52
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.53
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.62
Class (SILICOS-IT)
Moderately 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)
-2.57
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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