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CAS 76214-10-3 Sodium 5,8-dicarboxynaphthalene-2-sulfonate molecular structure lightbox
CAS RN: 76214-10-3

Sodium 5,8-dicarboxynaphthalene-2-sulfonate

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3 package records1 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250210 100mg / 500mg / 1g / 5g Confirm by inquiry Shanghai, Hebei, Shandong Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260515 1g Out of stock Inquiry
Batchno.20260128 250mg Out of stock Inquiry
  • Product code: LINS887506
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76214-10-3 / sodium 5,8-dicarboxynaphthalene-2-sulfonate

Standard CAS: 76214-10-3 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
76214-10-3
Multi CAS
Yes
Molecular Formula
C12H7NAO7S
Molecular Weight
318.240000
Exact Mass
317.981018
InChI
InChI=1S/C12H8O7S.Na/c13-11(14)8-3-4-9(12(15)16)10-5-6(20(17,18)19)1-2-7(8)10;/h1-5H,(H,13,14)(H,15,16)(H,17,18,19);/q;+1/p-1
InChIKey
YLMFDJKXEMPDQB-UHFFFAOYSA-M

Computed Properties

Structural Parameters

Heavy atom count
21
Aromatic heavy atom count
10
Rotatable bonds
3
H-bond acceptors
5
H-bond donors
2
Molar refractivity
65.83
TPSA
131.8

LogP / Solubility

WLOGP
-1.86
MLOGP
-1.62
XLogP3
-1.86
Consensus LogP
-1.78
Log S (ESOL)
-0.8
Class (ESOL)
Very soluble
Log S (Ali)
-0.83
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.55
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)
-5.98

Drug-likeness / Medicinal Chemistry

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

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