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CAS 73017-81-9 methyl 2-methanesulfonylpropanoate molecular structure lightbox
CAS RN: 73017-81-9

methyl 2-methanesulfonylpropanoate

  • Product code: SSC-182468
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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 73017-81-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

73017-81-9 / methyl 2-methylsulfonylpropanoate

Standard CAS: 73017-81-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
73017-81-9
Multi CAS
No
Molecular Formula
C5H10O4S
Molecular Weight
166.200000
Exact Mass
166.029980
InChI
InChI=1S/C5H10O4S/c1-4(5(6)9-2)10(3,7)8/h4H,1-3H3
InChIKey
QJHLMQITLBMLKQ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Fraction Csp3
0.8
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
36.32
TPSA
60.44

LogP / Solubility

WLOGP
-0.41
MLOGP
-0.36
XLogP3
-0.1
Consensus LogP
-0.29
Log S (ESOL)
-0.48
Class (ESOL)
Very soluble
Log S (Ali)
-0.63
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.64
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)
-4.02

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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