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CAS 926239-35-2 2-MethanesulfonaMido-4,5-diMethoxybenzoic acid molecular structure lightbox
CAS RN: 926239-35-2

2-MethanesulfonaMido-4,5-diMethoxybenzoic acid

  • Product code: SSC-206391
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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: 5g
  • 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 926239-35-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Shenzhen Inquiry

926239-35-2 / 2-(methanesulfonamido)-4,5-dimethoxybenzoic acid

Standard CAS: 926239-35-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
926239-35-2
Multi CAS
No
Molecular Formula
C10H13NO6S
Molecular Weight
275.280000
Exact Mass
275.046358
InChI
InChI=1S/C10H13NO6S/c1-16-8-4-6(10(12)13)7(5-9(8)17-2)11-18(3,14)15/h4-5,11H,1-3H3,(H,12,13)
InChIKey
QTVJEKYHWCJJGV-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
6
Fraction Csp3
0.3
Rotatable bonds
5
H-bond acceptors
5
H-bond donors
2
Molar refractivity
64.97
TPSA
101.93

LogP / Solubility

WLOGP
0.77
MLOGP
0.69
XLogP3
0.9
Consensus LogP
0.79
Log S (ESOL)
-1.95
Class (ESOL)
Soluble
Log S (Ali)
-2.38
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.69
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)
-3.85

Drug-likeness / Medicinal Chemistry

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

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