![CAS 59804-25-0 METHYL 2-METHYL-4-HYDROXY-2H-THIENO[2,3-E]-1,2-THIAZINE-3-CARBOXYLATE-1,1-DIOXIDE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/59804-25-0.gif)
CAS RN: 59804-25-0
METHYL 2-METHYL-4-HYDROXY-2H-THIENO[2,3-E]-1,2-THIAZINE-3-CARBOXYLATE-1,1-DIOXIDE
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.20250713 | 5g / 25g / 100g / 500g | Out of stock | 8-10 business days | Inquiry |
- Product code: SSC-168377
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 | Hong Kong | Inquiry |
59804-25-0 / methyl 4-hydroxy-2-methyl-1,1-dioxothieno[2,3-e]thiazine-3-carboxylate
Basic Information
CAS
59804-25-0
Multi CAS
Yes
Molecular Formula
C9H9NO5S2
Molecular Weight
275.300000
Exact Mass
274.992215
InChI
InChI=1S/C9H9NO5S2/c1-10-6(9(12)15-2)7(11)8-5(3-4-16-8)17(10,13)14/h3-4,11H,1-2H3
InChIKey
OKNMAOBDSCJUDO-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
5
Fraction Csp3
0.22
Rotatable bonds
1
H-bond acceptors
6
H-bond donors
1
Molar refractivity
60.83
TPSA
83.91
LogP / Solubility
WLOGP
0.78
MLOGP
0.7
XLogP3
0.9
Consensus LogP
0.79
Log S (ESOL)
-2.19
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.38
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.22
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
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)
-3.84
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5
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