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CAS 93050-79-4 REACTIVE RED 195 molecular structure lightbox
CAS RN: 93050-79-4

REACTIVE RED 195

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250927 1g / 5g / 25g / 100g / 500g Confirm by inquiry Shanghai, Shandong, Guangdong, Chongqing Inquiry
  • Product code: starshine_CAS93050-79-4
  • Purity/Analytical Methods: >99.0%
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93050-79-4 / pentasodium;(3E)-5-[[4-chloro-6-[3-(2-sulfonatooxyethylsulfonyl)anilino]-1,3,5-triazin-2-yl]amino]-3-[(1,5-disulfonatonaphthalen-2-yl)hydrazinylidene]-4-oxonaphthalene-2,7-disulfonate

Standard CAS: 93050-79-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
93050-79-4
Multi CAS
Yes
Molecular Formula
C31H19CLN7NA5O19S6
Molecular Weight
1136.300000
Exact Mass
1134.823698
InChI
InChI=1S/C31H24ClN7O19S6.5Na/c32-29-35-30(33-16-3-1-4-17(13-16)59(41,42)10-9-58-64(55,56)57)37-31(36-29)34-22-14-18(60(43,44)45)11-15-12-24(62(49,50)51)26(27(40)25(15)22)39-38-21-8-7-19-20(28(21)63(52,53)54)5-2-6-23(19)61(46,47)48;;;;;/h1-8,11-14,38H,9-10H2,(H,43,44,45)(H,46,47,48)(H,49,50,51)(H,52,53,54)(H,55,56,57)(H2,33,34,35,36,37);;;;;/q;5*+1/p-5/b39-26-;;;;;
InChIKey
NVNQRAOQGCJYDU-GWTDDJQGSA-I

Computed Properties

Structural Parameters

Heavy atom count
69
Aromatic heavy atom count
28
Fraction Csp3
0.06
Rotatable bonds
15
H-bond acceptors
26
H-bond donors
3
Molar refractivity
212.89
TPSA
433.56

LogP / Solubility

WLOGP
-14.3
MLOGP
-12.47
XLogP3
-14.3
Consensus LogP
-13.69
Log S (ESOL)
2.81
Class (ESOL)
Highly soluble
Log S (Ali)
1.45
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
3.02
Class (SILICOS-IT)
Highly 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)
-19.81

Drug-likeness / Medicinal Chemistry

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

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