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CAS 1467725-31-0 Methyl 2-((4-Methylphenylsulfonamido)Methyl)Acrylate molecular structure lightbox
CAS RN: 1467725-31-0

Methyl 2-((4-Methylphenylsulfonamido)Methyl)Acrylate

  • Product code: SSC-057706
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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 1467725-31-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

1467725-31-0 / methyl 2-[[(4-methylphenyl)sulfonylamino]methyl]prop-2-enoate

Standard CAS: 1467725-31-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1467725-31-0
Multi CAS
No
Molecular Formula
C12H15NO4S
Molecular Weight
269.320000
Exact Mass
269.072179
SMILES
CC1=CC=C(C=C1)S(=O)(=O)NCC(=C)C(=O)OC
InChI
InChI=1S/C12H15NO4S/c1-9-4-6-11(7-5-9)18(15,16)13-8-10(2)12(14)17-3/h4-7,13H,2,8H2,1,3H3
InChIKey
GFMDCSKJOQNGCC-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
6
Fraction Csp3
0.25
Rotatable bonds
5
H-bond acceptors
4
H-bond donors
1
Molar refractivity
67.52
TPSA
72.47

LogP / Solubility

WLOGP
1
MLOGP
0.89
XLogP3
1.5
Consensus LogP
1.13
Log S (ESOL)
-2.06
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.49
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.84
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.65

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5

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