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CAS 51503-28-7 Fast Red TR salt 1,5-Naphthalenedisulfonate salt molecular structure lightbox
CAS RN: 51503-28-7

Fast Red TR salt 1,5-Naphthalenedisulfonate salt

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Batchno.20260319 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS51503-28-7
  • Purity/Analytical Methods: >99.0%
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51503-28-7 / 4-chloro-2-methylbenzenediazonium;5-sulfonaphthalene-1-sulfonate

Standard CAS: 51503-28-7 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
51503-28-7
Multi CAS
Yes
Molecular Formula
C17H13CLN2O6S2
Molecular Weight
440.900000
Exact Mass
439.990356
InChI
InChI=1S/C10H8O6S2.C7H6ClN2/c11-17(12,13)9-5-1-3-7-8(9)4-2-6-10(7)18(14,15)16;1-5-4-6(8)2-3-7(5)10-9/h1-6H,(H,11,12,13)(H,14,15,16);2-4H,1H3/q;+1/p-1
InChIKey
YKRLYXJCIARNKF-UHFFFAOYSA-M

Computed Properties

Structural Parameters

Heavy atom count
28
Aromatic heavy atom count
16
Fraction Csp3
0.06
Rotatable bonds
2
H-bond acceptors
6
H-bond donors
1
Molar refractivity
102.66
TPSA
139.72

LogP / Solubility

WLOGP
4.12
MLOGP
3.66
XLogP3
4.12
Consensus LogP
3.97
Log S (ESOL)
-5.46
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.15
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.19
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.48

Drug-likeness / Medicinal Chemistry

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

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