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CAS 328028-09-7 4-(4-CHLORO-3-NITRO-BENZENESULFONYLAMINO)-2-HYDROXY-BENZOIC ACID molecular structure lightbox
CAS RN: 328028-09-7

4-(4-CHLORO-3-NITRO-BENZENESULFONYLAMINO)-2-HYDROXY-BENZOIC ACID

  • Product code: SSC-138512
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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: 0.25g
  • 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 328028-09-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Shenzhen Inquiry

328028-09-7 / 4-[(4-chloro-3-nitrophenyl)sulfonylamino]-2-hydroxybenzoic acid

Standard CAS: 328028-09-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
328028-09-7
Multi CAS
No
Molecular Formula
C13H9CLN2O7S
Molecular Weight
372.740000
Exact Mass
371.981900
InChI
InChI=1S/C13H9ClN2O7S/c14-10-4-2-8(6-11(10)16(20)21)24(22,23)15-7-1-3-9(13(18)19)12(17)5-7/h1-6,15,17H,(H,18,19)
InChIKey
KGTOUPDTFMIEHG-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
24
Aromatic heavy atom count
12
Rotatable bonds
5
H-bond acceptors
6
H-bond donors
3
Molar refractivity
83.98
TPSA
146.84

LogP / Solubility

WLOGP
2.45
MLOGP
2.18
XLogP3
2.6
Consensus LogP
2.41
Log S (ESOL)
-3.74
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.39
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.72
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.25

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
No
Egan
No
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5

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