![CAS 496038-39-2 7-METHYL-5,6,7,8-TETRAHYDRO[1]BENZOTHIENO[2,3-D][1,2,3]TRIAZIN-4(3H)-ONE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB0462134.gif)
CAS RN: 496038-39-2
7-METHYL-5,6,7,8-TETRAHYDRO[1]BENZOTHIENO[2,3-D][1,2,3]TRIAZIN-4(3H)-ONE
- Product code: SSC-155826
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 | Shenzhen | Inquiry |
496038-39-2 / 7-methyl-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]triazin-4-one
Basic Information
CAS
496038-39-2
Multi CAS
No
Molecular Formula
C10H11N3OS
Molecular Weight
221.280000
Exact Mass
221.062283
InChI
InChI=1S/C10H11N3OS/c1-5-2-3-6-7(4-5)15-10-8(6)9(14)11-13-12-10/h5H,2-4H2,1H3,(H,11,12,14)
InChIKey
VYAIMKYQYSEKME-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
9
Fraction Csp3
0.5
H-bond acceptors
4
H-bond donors
1
Molar refractivity
59.22
TPSA
58.64
LogP / Solubility
WLOGP
1.5
MLOGP
1.33
XLogP3
3.1
Consensus LogP
1.98
Log S (ESOL)
-2.6
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.46
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.35
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)
-3
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
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