CAS RN: 1121-03-5
2,4-Butanesultone
Product Availability
Choose a grade to view its available package options.
5 package records5 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250613 | 200mg / 1g / 5g / 25g | Confirm by inquiry | Shanghai | 5-7 business days | Inquiry |
- Product code: starshine_CAS1121-03-5
- Purity/Analytical Methods: >99.0%
1121-03-5 / 3-methyloxathiolane 2,2-dioxide
2,4-Butanesultone | 3-Methyl-1,2-oxathiolane 2,2-dioxide | 4-Hydroxy-2-butanesulfonic acid gamma-sultone
Basic Information
CAS
1121-03-5
Multi CAS
Yes
Molecular Formula
C4H8O3S
Molecular Weight
136.170000
Exact Mass
136.019415
SMILES
CC1CCOS1(=O)=O
InChI
InChI=1S/C4H8O3S/c1-4-2-3-7-8(4,5)6/h4H,2-3H2,1H3
InChIKey
VWEYDBUEGDKEHC-UHFFFAOYSA-N
Synonyms
2,4-Butanesultone
3-Methyl-1,2-oxathiolane 2,2-dioxide
4-Hydroxy-2-butanesulfonic acid gamma-sultone
1,2-Oxathiolane, 3-methyl-, 2,2-dioxide
BRN 0110592
Computed Properties
Structural Parameters
Heavy atom count
8
Fraction Csp3
1
H-bond acceptors
3
Molar refractivity
28.95
TPSA
43.37
LogP / Solubility
WLOGP
0.13
MLOGP
0.1
XLogP3
0.2
Consensus LogP
0.14
Log S (ESOL)
-0.76
Class (ESOL)
Very soluble
Log S (Ali)
-0.77
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.65
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)
-3.46
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
2
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2-FURALDEHYDE OXIME
- CAS RN: 1121-47-7
- Product Code: starshine_CAS1121-47-7
- Purity/Analytical method: >99.0%
