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CAS 73017-82-0 ETHYL 2-(METHYLSULFONYL)PROPANOATE molecular structure lightbox
CAS RN: 73017-82-0

ETHYL 2-(METHYLSULFONYL)PROPANOATE

  • Product code: SSC-182469
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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 73017-82-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

73017-82-0 / ethyl 2-methylsulfonylpropanoate

Standard CAS: 73017-82-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
73017-82-0
Multi CAS
No
Molecular Formula
C6H12O4S
Molecular Weight
180.220000
Exact Mass
180.045630
InChI
InChI=1S/C6H12O4S/c1-4-10-6(7)5(2)11(3,8)9/h5H,4H2,1-3H3
InChIKey
KVYLGLYBQFEJAK-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Fraction Csp3
0.83
Rotatable bonds
3
H-bond acceptors
4
Molar refractivity
40.94
TPSA
60.44

LogP / Solubility

WLOGP
-0.02
MLOGP
-0.02
XLogP3
0.3
Consensus LogP
0.09
Log S (ESOL)
-0.75
Class (ESOL)
Very soluble
Log S (Ali)
-1.03
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.18
Class (SILICOS-IT)
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)
-3.83

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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