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CAS 4193-55-9 Fluorescent Brightener 28 molecular structure lightbox
CAS RN: 4193-55-9

Fluorescent Brightener 28

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4 package records1 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251230 100g Out of stock Inquiry
Batchno.20250103 25g Out of stock Inquiry
Batchno.20250422 500g Out of stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251030 250mg / 1g / 5g Confirm by inquiry Shanghai, Shandong Inquiry
  • Product code: starshine_CAS4193-55-9
  • Purity/Analytical Methods: >99.0%
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4193-55-9 / disodium;5-[[4-anilino-6-[bis(2-hydroxyethyl)amino]-1,3,5-triazin-2-yl]amino]-2-[2-[4-[[4-anilino-6-[bis(2-hydroxyethyl)amino]-1,3,5-triazin-2-yl]amino]-2-sulfonatophenyl]ethenyl]benzenesulfonate

Standard CAS: 4193-55-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
4193-55-9
Multi CAS
Yes
Molecular Formula
C40H42N12NA2O10S2
Molecular Weight
960.900000
Exact Mass
960.238366
InChI
InChI=1S/C40H44N12O10S2.2Na/c53-21-17-51(18-22-54)39-47-35(41-29-7-3-1-4-8-29)45-37(49-39)43-31-15-13-27(33(25-31)63(57,58)59)11-12-28-14-16-32(26-34(28)64(60,61)62)44-38-46-36(42-30-9-5-2-6-10-30)48-40(50-38)52(19-23-55)20-24-56;;/h1-16,25-26,53-56H,17-24H2,(H,57,58,59)(H,60,61,62)(H2,41,43,45,47,49)(H2,42,44,46,48,50);;/q;2*+1/p-2
InChIKey
YJHDFAAFYNRKQE-UHFFFAOYSA-L

Computed Properties

Structural Parameters

Heavy atom count
66
Aromatic heavy atom count
36
Fraction Csp3
0.2
Rotatable bonds
22
H-bond acceptors
22
H-bond donors
8
Molar refractivity
236.18
TPSA
327.26

LogP / Solubility

WLOGP
-3.4
MLOGP
-2.9
XLogP3
-3.4
Consensus LogP
-3.23
Log S (ESOL)
-2.61
Class (ESOL)
Moderately soluble
Log S (Ali)
-4.98
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.72
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-11

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
5.5

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