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: ≥97%
- 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 | ≥97% | 0 Out of Stock | Hong Kong | Inquiry |
1418112-83-0 / 3-methylazetidine-1-sulfonamide
Basic Information
CAS
1418112-83-0
Multi CAS
No
Molecular Formula
C4H10N2O2S
Molecular Weight
150.200000
Exact Mass
150.046299
SMILES
CC1CN(C1)S(=O)(=O)N
InChI
InChI=1S/C4H10N2O2S/c1-4-2-6(3-4)9(5,7)8/h4H,2-3H2,1H3,(H2,5,7,8)
InChIKey
AVSGFRVSZZIUNB-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
9
Fraction Csp3
1
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
33.84
TPSA
63.4
LogP / Solubility
WLOGP
-0.86
MLOGP
-0.76
XLogP3
-0.6
Consensus LogP
-0.74
Log S (ESOL)
-0.16
Class (ESOL)
Very soluble
Log S (Ali)
-0.17
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.04
Class (SILICOS-IT)
Very soluble
ADME
GI absorption
Low
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)
-4.25
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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