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CAS 49735-71-9 Fast Red B salt molecular structure lightbox
CAS RN: 49735-71-9

Fast Red B salt

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260226 1g / 5g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS49735-71-9
  • Purity/Analytical Methods: >99.0%
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49735-71-9 / 2-methoxy-4-nitrobenzenediazonium;5-sulfonaphthalene-1-sulfonate

Standard CAS: 49735-71-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
49735-71-9
Multi CAS
Yes
Molecular Formula
C17H13N3O9S2
Molecular Weight
467.400000
Exact Mass
467.009321
InChI
InChI=1S/C10H8O6S2/c11-17(12,13)9-5-1-3-7-8(9)4-2-6-10(7)18(14,15)16/h1-6H,(H,11,12,13)(H,14,15,16)/p-2
InChIKey
XTEGVFVZDVNBPF-UHFFFAOYSA-L

Computed Properties

Structural Parameters

Heavy atom count
31
Aromatic heavy atom count
16
Fraction Csp3
0.06
Rotatable bonds
4
H-bond acceptors
9
H-bond donors
1
Molar refractivity
106.12
TPSA
192.09

LogP / Solubility

WLOGP
3.08
MLOGP
2.74
XLogP3
3.08
Consensus LogP
2.97
Log S (ESOL)
-4.8
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.62
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.73
Class (SILICOS-IT)
Slightly soluble

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)
-3.39

Drug-likeness / Medicinal Chemistry

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

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