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CAS 86-65-7 7-Amino-1,3-naphthalenedisulfonic acid molecular structure lightbox
CAS RN: 86-65-7

7-Amino-1,3-naphthalenedisulfonic acid

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260216 25g / 100g / 500g Confirm by inquiry Shanghai, Guangdong, Hebei Inquiry
  • Product code: starshine_CAS86-65-7
  • Purity/Analytical Methods: >99.0%
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86-65-7 / 7-aminonaphthalene-1,3-disulfonic acid

Standard CAS: 86-65-7 Multi CAS: No
Basic Information Physical Properties Computed Properties

Basic Information

CAS
86-65-7
Multi CAS
No
Molecular Formula
C10H9NO6S2
Molecular Weight
303.300000
Exact Mass
302.987129
InChI
InChI=1S/C10H9NO6S2/c11-7-2-1-6-3-8(18(12,13)14)5-10(9(6)4-7)19(15,16)17/h1-5H,11H2,(H,12,13,14)(H,15,16,17)
InChIKey
CMOLPZZVECHXKN-UHFFFAOYSA-N

Physical Properties

Physical Description
Fine needles, soluble in water; [Merck Index]

Computed Properties

Structural Parameters

Heavy atom count
19
Aromatic heavy atom count
10
Rotatable bonds
2
H-bond acceptors
5
H-bond donors
3
Molar refractivity
67.99
TPSA
134.76

LogP / Solubility

WLOGP
0.92
MLOGP
0.82
Consensus LogP
0.58
Log S (ESOL)
-2.55
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.71
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.63
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)
-3.92

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
1.5

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