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CAS 374067-95-5 2-Methyl-2-(4-sulfamoylphenyl)propionic Acid molecular structure lightbox
CAS RN: 374067-95-5

2-Methyl-2-(4-sulfamoylphenyl)propionic Acid

  • Product code: SSC-144714
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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 374067-95-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

374067-95-5 / 2-methyl-2-(4-sulfamoylphenyl)propanoic acid

Standard CAS: 374067-95-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
374067-95-5
Multi CAS
No
Molecular Formula
C10H13NO4S
Molecular Weight
243.280000
Exact Mass
243.056529
InChI
InChI=1S/C10H13NO4S/c1-10(2,9(12)13)7-3-5-8(6-4-7)16(11,14)15/h3-6H,1-2H3,(H,12,13)(H2,11,14,15)
InChIKey
WGTDUMWGEIZVMI-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.3
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
2
Molar refractivity
58.48
TPSA
97.46

LogP / Solubility

WLOGP
0.7
MLOGP
0.62
XLogP3
0.9
Consensus LogP
0.74
Log S (ESOL)
-1.87
Class (ESOL)
Soluble
Log S (Ali)
-2.06
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.18
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
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)
-3.71

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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