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CAS 118-03-6 2-Amino-3,6,8-naphthalenetrisulfonic acid molecular structure lightbox
CAS RN: 118-03-6

2-Amino-3,6,8-naphthalenetrisulfonic acid

Product Availability

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3 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260102 100g In stock Shanghai, Shandong Inquiry
Batchno.20251217 25g In stock Shanghai, Guangdong, Chongqing Inquiry
Batchno.20260525 500g In stock Shanghai Inquiry
  • Product code: SSC-017844
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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: 100g
  • 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 118-03-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
100g ≥95% 0 Out of Stock Shenzhen Inquiry

118-03-6 / 7-aminonaphthalene-1,3,6-trisulfonic acid

1,3,6-NAPHTHALENETRISULFONIC ACID, 7-AMINO- | 2-Naphthylamine-3,6,8-trisulfonic acid | 2-Amino-3,6,8-naphthalenetrisulfonic acid

Standard CAS: 118-03-6 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
118-03-6
Multi CAS
No
Molecular Formula
C10H9NO9S3
Molecular Weight
383.400000
Exact Mass
382.943944
SMILES
C1=C2C=C(C(=CC2=C(C=C1S(=O)(=O)O)S(=O)(=O)O)N)S(=O)(=O)O
InChI
InChI=1S/C10H9NO9S3/c11-8-4-7-5(2-10(8)23(18,19)20)1-6(21(12,13)14)3-9(7)22(15,16)17/h1-4H,11H2,(H,12,13,14)(H,15,16,17)(H,18,19,20)
InChIKey
GFPQSWFFPRQEHH-UHFFFAOYSA-N
Synonyms
1,3,6-NAPHTHALENETRISULFONIC ACID, 7-AMINO- 2-Naphthylamine-3,6,8-trisulfonic acid 2-Amino-3,6,8-naphthalenetrisulfonic acid 7-Amino-1,3,6-naphthalenetrisulfonic acid NSC 7561

Computed Properties

Structural Parameters

Heavy atom count
23
Aromatic heavy atom count
10
Rotatable bonds
3
H-bond acceptors
7
H-bond donors
4
Molar refractivity
77.8
TPSA
189.13

LogP / Solubility

WLOGP
0.16
MLOGP
0.16
XLogP3
-0.7
Consensus LogP
-0.13
Log S (ESOL)
-2.44
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.82
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.65
Class (SILICOS-IT)
Moderately 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)
-4.94

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Corrosive Irritant Health Hazard Environmental Hazard
Signal
Danger
GHS Hazard Statements
H314 (50%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation] H315 (30%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (30%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H351 (20%): Suspected of causing cancer [Warning Carcinogenicity] H411 (20%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
Precautionary Statement Codes
P203, P260, P264, P264+P265, P273, P280, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P318, P321, P332+P317, P337+P317, P362+P364, P363, P391, P405, and P501

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