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CAS 96-67-3 3-Amino-2-hydroxy-5-nitrobenzenesulfonic Acid Monohydrate molecular structure lightbox
CAS RN: 96-67-3

3-Amino-2-hydroxy-5-nitrobenzenesulfonic Acid Monohydrate

Product Availability

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3 package records3 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20260630 1g In stock Inquiry
Batchno.20260625 25g In stock Inquiry
Batchno.20250526 5g In stock Inquiry
  • Product code: SSC-211788
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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 96-67-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Beijing Inquiry

96-67-3 / 3-amino-2-hydroxy-5-nitrobenzenesulfonic acid;hydrate

Standard CAS: 96-67-3 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
96-67-3
Multi CAS
Yes
Molecular Formula
C6H8N2O7S
Molecular Weight
252.200000
Exact Mass
252.005222
InChI
InChI=1S/C6H6N2O6S.H2O/c7-4-1-3(8(10)11)2-5(6(4)9)15(12,13)14;/h1-2,9H,7H2,(H,12,13,14);1H2
InChIKey
HSZXHKYTBYTMEE-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
6
Rotatable bonds
2
H-bond acceptors
6
H-bond donors
3
Molar refractivity
52.6
TPSA
175.26

LogP / Solubility

WLOGP
-0.7
MLOGP
-0.61
XLogP3
-0.7
Consensus LogP
-0.67
Log S (ESOL)
-1.11
Class (ESOL)
Soluble
Log S (Ali)
-1.13
Class (Ali)
Soluble
Log S (SILICOS-IT)
-0.96
Class (SILICOS-IT)
Very soluble

ADME

GI absorption
Low
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)
-4.75

Drug-likeness / Medicinal Chemistry

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

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