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CAS 5378-41-6 2-hydroxy-5-sulfaMoylbenzoic acid molecular structure lightbox
CAS RN: 5378-41-6

2-hydroxy-5-sulfaMoylbenzoic acid

  • Product code: SSC-161170
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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 5378-41-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

5378-41-6 / 2-hydroxy-5-sulfamoylbenzoic acid

Standard CAS: 5378-41-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
5378-41-6
Multi CAS
No
Molecular Formula
C7H7NO5S
Molecular Weight
217.200000
Exact Mass
217.004494
InChI
InChI=1S/C7H7NO5S/c8-14(12,13)4-1-2-6(9)5(3-4)7(10)11/h1-3,9H,(H,10,11)(H2,8,12,13)
InChIKey
WKQMYKUTVQZUBG-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
3
Molar refractivity
46.44
TPSA
117.69

LogP / Solubility

WLOGP
-0.26
MLOGP
-0.23
XLogP3
1.1
Consensus LogP
0.2
Log S (ESOL)
-1.21
Class (ESOL)
Soluble
Log S (Ali)
-1.15
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.09
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)
-4.23

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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