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CAS 32014-03-2 1-(2-hydroxy-ethanesulfonyl)-propan-2-ol molecular structure lightbox
CAS RN: 32014-03-2

1-(2-hydroxy-ethanesulfonyl)-propan-2-ol

  • Product code: SSC-137480
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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: 1g
  • Available purity: ≥95%
  • 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 32014-03-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

32014-03-2 / 1-(2-hydroxyethylsulfonyl)propan-2-ol

Standard CAS: 32014-03-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
32014-03-2
Multi CAS
No
Molecular Formula
C5H12O4S
Molecular Weight
168.210000
Exact Mass
168.045630
InChI
InChI=1S/C5H12O4S/c1-5(7)4-10(8,9)3-2-6/h5-7H,2-4H2,1H3
InChIKey
QXKIHUFISFHAMP-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Fraction Csp3
1
Rotatable bonds
4
H-bond acceptors
4
H-bond donors
2
Molar refractivity
37.42
TPSA
74.6

LogP / Solubility

WLOGP
-1.23
MLOGP
-1.08
XLogP3
-1.3
Consensus LogP
-1.2
Log S (ESOL)
0.15
Class (ESOL)
Highly soluble
Log S (Ali)
-0.05
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.22
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)
-4.62

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2

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