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 | Shanghai | Inquiry |
20627-66-1 / 3-methoxythiolane 1,1-dioxide
Basic Information
CAS
20627-66-1
Multi CAS
No
Molecular Formula
C5H10O3S
Molecular Weight
150.200000
Exact Mass
150.035065
SMILES
COC1CCS(=O)(=O)C1
InChI
InChI=1S/C5H10O3S/c1-8-5-2-3-9(6,7)4-5/h5H,2-4H2,1H3
InChIKey
FUGUKLMWKCDKJU-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
9
Fraction Csp3
1
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
34.07
TPSA
43.37
LogP / Solubility
WLOGP
-0.18
MLOGP
-0.16
XLogP3
-0.3
Consensus LogP
-0.21
Log S (ESOL)
-0.59
Class (ESOL)
Very soluble
Log S (Ali)
-0.66
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.61
Class (SILICOS-IT)
Very soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.76
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
