CAS RN: 503310-57-4
1,2,5-Thiadiazolidine-2-carboxylic acid, methyl ester, 1,1-dioxide
Product Availability
Choose a grade to view its available package options.
3 package records3 with current stock1 grade group
- Product code: SSC-156793
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: 1g
- 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 |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Shenzhen | Inquiry |
503310-57-4 / methyl 1,1-dioxo-1,2,5-thiadiazolidine-2-carboxylate
Basic Information
CAS
503310-57-4
Multi CAS
No
Molecular Formula
C4H8N2O4S
Molecular Weight
180.190000
Exact Mass
180.020478
InChI
InChI=1S/C4H8N2O4S/c1-10-4(7)6-3-2-5-11(6,8)9/h5H,2-3H2,1H3
InChIKey
MAVKPXNJECNKPS-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Fraction Csp3
0.75
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
1
Molar refractivity
36.03
TPSA
75.71
LogP / Solubility
WLOGP
-1.1
MLOGP
-0.97
XLogP3
-0.8
Consensus LogP
-0.96
Log S (ESOL)
-0.27
Class (ESOL)
Very soluble
Log S (Ali)
-0.25
Class (Ali)
Very soluble
Log S (SILICOS-IT)
0.08
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)
-4.6
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
