[email protected]
CAS 20349-39-7 1-Naphthol-3,6-disulfonic acid disodium salt molecular structure lightbox
CAS RN: 20349-39-7

1-Naphthol-3,6-disulfonic acid disodium salt

Product Availability

Choose a grade to view its available package options.

5 package records5 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20250507 100g In stock Inquiry
Batchno.20250623 1g In stock Inquiry
Batchno.20250701 25g In stock Inquiry
Batchno.20250324 500g In stock Inquiry
Batchno.20260622 5g In stock Inquiry
  • Product code: starshine_CAS20349-39-7
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

20349-39-7 / disodium;4-hydroxynaphthalene-2,7-disulfonate

Standard CAS: 20349-39-7 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
20349-39-7
Multi CAS
No
Molecular Formula
C10H6Na2O7S2
Molecular Weight
348.300000
Exact Mass
347.935033
SMILES
C1=CC2=C(C=C(C=C2C=C1S(=O)(=O)[O-])S(=O)(=O)[O-])O.[Na+].[Na+]
InChI
InChI=1S/C10H8O7S2.2Na/c11-10-5-8(19(15,16)17)4-6-3-7(18(12,13)14)1-2-9(6)10;;/h1-5,11H,(H,12,13,14)(H,15,16,17);;/q;2*+1/p-2
InChIKey
RJMDNLVCFLKDBY-UHFFFAOYSA-L

Computed Properties

Structural Parameters

Heavy atom count
21
Aromatic heavy atom count
10
Rotatable bonds
2
H-bond acceptors
7
H-bond donors
1
Molar refractivity
61.54
TPSA
134.63

LogP / Solubility

WLOGP
-5.64
MLOGP
-4.94
XLogP3
-5.64
Consensus LogP
-5.41
Log S (ESOL)
1.33
Class (ESOL)
Highly soluble
Log S (Ali)
1.66
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
2.52
Class (SILICOS-IT)
Highly 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)
-8.85

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
Not Classified Reported as not meeting GHS hazard criteria by 112 of 115 companies (only 2.6% companies provided GHS information). For more detailed information, please visit ECHA C&L website. H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

Customers Also Viewed

Get In Touch

Contact Us