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: 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 |
|---|---|---|---|---|
| 25g | ≥95% | 0 Out of Stock | Beijing | Inquiry |
26494-76-8 / 1,1-dioxo-1,4-thiazinan-4-amine
Basic Information
CAS
26494-76-8
Multi CAS
No
Molecular Formula
C4H10N2O2S
Molecular Weight
150.200000
Exact Mass
150.046299
SMILES
C1CS(=O)(=O)CCN1N
InChI
InChI=1S/C4H10N2O2S/c5-6-1-3-9(7,8)4-2-6/h1-5H2
InChIKey
YDKNASMIEZGJEJ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
9
Fraction Csp3
1
H-bond acceptors
4
H-bond donors
1
Molar refractivity
34.41
TPSA
63.4
LogP / Solubility
WLOGP
-1.41
MLOGP
-1.25
XLogP3
-1.3
Consensus LogP
-1.32
Log S (ESOL)
0.12
Class (ESOL)
Highly soluble
Log S (Ali)
0.23
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
0.53
Class (SILICOS-IT)
Highly soluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.64
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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