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CAS 1820683-31-5 3-Methanesulfonylmethyl-azetidine Hydrochloride molecular structure lightbox
CAS RN: 1820683-31-5

3-Methanesulfonylmethyl-azetidine Hydrochloride

  • Product code: SSC-082880
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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: 0.1g, 0.25g, 1g
  • Available purity: ＞97%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1820683-31-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ＞97% 0 Out of Stock Hong Kong Inquiry
0.25g ＞97% 0 Out of Stock Beijing Inquiry
1g ＞97% 0 Out of Stock Shenzhen Inquiry

1820683-31-5 / 3-(methylsulfonylmethyl)azetidine;hydrochloride

Standard CAS: 1820683-31-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1820683-31-5
Multi CAS
No
Molecular Formula
C5H12ClNO2S
Molecular Weight
185.670000
Exact Mass
185.027728
SMILES
CS(=O)(=O)CC1CNC1.Cl
InChI
InChI=1S/C5H11NO2S.ClH/c1-9(7,8)4-5-2-6-3-5;/h5-6H,2-4H2,1H3;1H
InChIKey
IETHHDQJCPZGBT-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
43.32
TPSA
46.17

LogP / Solubility

WLOGP
-0.33
MLOGP
-0.29
XLogP3
-0.33
Consensus LogP
-0.32
Log S (ESOL)
-0.65
Class (ESOL)
Very soluble
Log S (Ali)
-0.85
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.83
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)
-4.09

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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