CAS RN: 1486724-72-4
(1-methanesulfonylazetidin-3-yl)methanol
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.20250217 | 1g / 5g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1486724-72-4
- Purity/Analytical Methods: >99.0%
1486724-72-4 / (1-methylsulfonylazetidin-3-yl)methanol
Basic Information
CAS
1486724-72-4
Multi CAS
No
Molecular Formula
C5H11NO3S
Molecular Weight
165.210000
Exact Mass
165.045964
SMILES
CS(=O)(=O)N1CC(C1)CO
InChI
InChI=1S/C5H11NO3S/c1-10(8,9)6-2-5(3-6)4-7/h5,7H,2-4H2,1H3
InChIKey
LVCKHLVESYMEFX-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Fraction Csp3
1
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
36.99
TPSA
57.61
LogP / Solubility
WLOGP
-1.13
MLOGP
-1
XLogP3
-1.1
Consensus LogP
-1.08
Log S (ESOL)
-0.02
Class (ESOL)
Very soluble
Log S (Ali)
-0.1
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.04
Class (SILICOS-IT)
Very 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)
-4.53
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
Safety & Transport
Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
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