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CAS 326023-08-9 2-HYDROXY-5-(THIOPHENE-2-SULFONYLAMINO)-BENZOIC ACID molecular structure lightbox
CAS RN: 326023-08-9

2-HYDROXY-5-(THIOPHENE-2-SULFONYLAMINO)-BENZOIC ACID

  • Product code: SSC-138247
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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 326023-08-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

326023-08-9 / 2-hydroxy-5-(thiophen-2-ylsulfonylamino)benzoic acid

Standard CAS: 326023-08-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
326023-08-9
Multi CAS
No
Molecular Formula
C11H9NO5S2
Molecular Weight
299.300000
Exact Mass
298.992215
InChI
InChI=1S/C11H9NO5S2/c13-9-4-3-7(6-8(9)11(14)15)12-19(16,17)10-2-1-5-18-10/h1-6,12-13H,(H,14,15)
InChIKey
AVIOICZIPMVMFG-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
19
Aromatic heavy atom count
11
Rotatable bonds
4
H-bond acceptors
5
H-bond donors
3
Molar refractivity
70.19
TPSA
103.7

LogP / Solubility

WLOGP
1.95
MLOGP
1.73
XLogP3
2.2
Consensus LogP
1.96
Log S (ESOL)
-3.09
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.42
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.71
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.16

Drug-likeness / Medicinal Chemistry

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

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