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CAS 3624-68-8 6-(5-Chloro-2-hydroxy-4-sulfophenylazo)-5-hydroxy-1-naphthalenesulfonic acid disodium salt molecular structure lightbox
CAS RN: 3624-68-8

6-(5-Chloro-2-hydroxy-4-sulfophenylazo)-5-hydroxy-1-naphthalenesulfonic acid disodium salt

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251115 1g / 5g Out of stock 15 business days Inquiry
  • Product code: starshine_CAS3624-68-8
  • Purity/Analytical Methods: >99.0%
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3624-68-8 / disodium;6-[(5-chloro-2-hydroxy-3-sulfonatophenyl)diazenyl]-5-hydroxynaphthalene-1-sulfonate

Standard CAS: 3624-68-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
3624-68-8
Multi CAS
Yes
Molecular Formula
C16H9CLN2NA2O8S2
Molecular Weight
502.800000
Exact Mass
501.928424
InChI
InChI=1S/C16H11ClN2O8S2.2Na/c17-8-6-12(16(21)14(7-8)29(25,26)27)19-18-11-5-4-9-10(15(11)20)2-1-3-13(9)28(22,23)24;;/h1-7,20-21H,(H,22,23,24)(H,25,26,27);;/q;2*+1/p-2
InChIKey
UVDODHCPLWXDSI-UHFFFAOYSA-L

Computed Properties

Structural Parameters

Heavy atom count
31
Aromatic heavy atom count
16
Rotatable bonds
4
H-bond acceptors
10
H-bond donors
2
Molar refractivity
98.83
TPSA
179.58

LogP / Solubility

WLOGP
-2.86
MLOGP
-2.48
XLogP3
-2.86
Consensus LogP
-2.73
Log S (ESOL)
-1.27
Class (ESOL)
Soluble
Log S (Ali)
-1.62
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.03
Class (SILICOS-IT)
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)
-7.82

Drug-likeness / Medicinal Chemistry

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

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