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CAS 66644-80-2 5-(Aminosulfonyl)-2,3-dimethoxybenzoic Acid molecular structure lightbox
CAS RN: 66644-80-2

5-(Aminosulfonyl)-2,3-dimethoxybenzoic Acid

Product Availability

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3 package records1 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20250413 1g In stock Inquiry
Batchno.20250307 25g Out of stock Inquiry
Batchno.20260214 5g Out of stock Inquiry
  • Product code: SSC-176317
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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 66644-80-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Hong Kong Inquiry

66644-80-2 / 2,3-dimethoxy-5-sulfamoylbenzoic acid

Standard CAS: 66644-80-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
66644-80-2
Multi CAS
No
Molecular Formula
C9H11NO6S
Molecular Weight
261.250000
Exact Mass
261.030708
InChI
InChI=1S/C9H11NO6S/c1-15-7-4-5(17(10,13)14)3-6(9(11)12)8(7)16-2/h3-4H,1-2H3,(H,11,12)(H2,10,13,14)
InChIKey
YEVQOPOKMKTXMD-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.22
Rotatable bonds
4
H-bond acceptors
5
H-bond donors
2
Molar refractivity
57.88
TPSA
115.92

LogP / Solubility

WLOGP
0.05
MLOGP
0.05
Consensus LogP
0.03
Log S (ESOL)
-1.49
Class (ESOL)
Soluble
Log S (Ali)
-1.74
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.88
Class (SILICOS-IT)
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)
-4.28

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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