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CAS 2850-19-3 ETHYL 2-[(4-METHYLPHENYL)SULFONYL]ACETATE molecular structure lightbox
CAS RN: 2850-19-3

ETHYL 2-[(4-METHYLPHENYL)SULFONYL]ACETATE

  • Product code: SSC-129884
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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 2850-19-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

2850-19-3 / ethyl 2-(4-methylphenyl)sulfonylacetate

Standard CAS: 2850-19-3 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
2850-19-3
Multi CAS
Yes
Molecular Formula
C11H14O4S
Molecular Weight
242.290000
Exact Mass
242.061280
InChI
InChI=1S/C11H14O4S/c1-3-15-11(12)8-16(13,14)10-6-4-9(2)5-7-10/h4-7H,3,8H2,1-2H3
InChIKey
VDXYJUBMHZEPOQ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.36
Rotatable bonds
4
H-bond acceptors
4
Molar refractivity
59.86
TPSA
60.44

LogP / Solubility

WLOGP
1.33
MLOGP
1.18
XLogP3
1.8
Consensus LogP
1.44
Log S (ESOL)
-2.19
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.51
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.82
Class (SILICOS-IT)
Moderately 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)
-3.25

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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