![CAS 863004-48-2 5-Benzyl-2-methyl-2,3-dihydrobenzo[b][1,4]thiazepin-4(5H)-one molecular structure](https://starshinechemical.com/wp-content/uploads/2026/07/863004-48-2.png)
CAS RN: 863004-48-2
5-Benzyl-2-methyl-2,3-dihydrobenzo[b][1,4]thiazepin-4(5H)-one
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260502 | 25mg / 50mg / 100mg | Out of stock | 8-10 business days | Inquiry |
863004-48-2 / 5-benzyl-2-methyl-2,3-dihydro-1,5-benzothiazepin-4-one
GSK-3|A inhibitor 14 | 5-Benzyl-2-methyl-2,3-dihydrobenzo[b][1,4]thiazepin-4(5H)-one | GSK-3beta inhibitor 14
Basic Information
CAS
863004-48-2
Multi CAS
No
Molecular Formula
C17H17NOS
Molecular Weight
283.400000
Exact Mass
283.103085
SMILES
CC1CC(=O)N(C2=CC=CC=C2S1)CC3=CC=CC=C3
InChI
InChI=1S/C17H17NOS/c1-13-11-17(19)18(12-14-7-3-2-4-8-14)15-9-5-6-10-16(15)20-13/h2-10,13H,11-12H2,1H3
InChIKey
NMFSTGNJEJROKR-UHFFFAOYSA-N
Synonyms
GSK-3|A inhibitor 14
5-Benzyl-2-methyl-2,3-dihydrobenzo[b][1,4]thiazepin-4(5H)-one
GSK-3beta inhibitor 14
WAY-333184
CHEMBL2334784
Computed Properties
Structural Parameters
Heavy atom count
20
Aromatic heavy atom count
12
Fraction Csp3
0.24
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
84.01
TPSA
20.31
LogP / Solubility
WLOGP
4.1
MLOGP
3.62
XLogP3
3.4
Consensus LogP
3.71
Log S (ESOL)
-4.49
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.85
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.15
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.53
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
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