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CAS 2058-49-3 METHYL-(3-HYDROXYPROPYL) SULFONE molecular structure lightbox
CAS RN: 2058-49-3

METHYL-(3-HYDROXYPROPYL) SULFONE

  • Product code: SSC-096932
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 0.25g, 1g, 10g, 5g, 25g, 100g
  • Available purity: ≥95%
  • Inventory rows with stock: 4
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 2058-49-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 5 In Stock Shanghai Inquiry
1g ≥95% 5 In Stock Shenzhen Inquiry
10g ≥95% 3 In Stock Shenzhen Inquiry
5g ≥95% 1 In Stock Hong Kong Inquiry
25g ≥95% 0 Out of Stock Shenzhen Inquiry
100g ≥95% 0 Out of Stock Beijing Inquiry

2058-49-3 / 3-methylsulfonylpropan-1-ol

Standard CAS: 2058-49-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2058-49-3
Multi CAS
No
Molecular Formula
C4H10O3S
Molecular Weight
138.190000
Exact Mass
138.035065
SMILES
CS(=O)(=O)CCCO
InChI
InChI=1S/C4H10O3S/c1-8(6,7)4-2-3-5/h5H,2-4H2,1H3
InChIKey
XPXXXQZNUQAFQY-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
8
Fraction Csp3
1
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
1
Molar refractivity
31.41
TPSA
54.37

LogP / Solubility

WLOGP
-0.59
MLOGP
-0.52
XLogP3
-0.7
Consensus LogP
-0.6
Log S (ESOL)
-0.13
Class (ESOL)
Very soluble
Log S (Ali)
-0.27
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.43
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)
-3.98

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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