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CAS 343821-13-6 5′-(4-sulfophenyl)-[1,1′:3′,1”-terphenyl]-4,4”-disulfonic acid molecular structure lightbox
CAS RN: 343821-13-6

5′-(4-sulfophenyl)-[1,1′:3′,1”-terphenyl]-4,4”-disulfonic acid

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4 package records1 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251028 100mg / 250mg / 1g / 5g Confirm by inquiry Shanghai Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250926 100mg Out of stock Inquiry
Batchno.20260108 1g Out of stock Inquiry
Batchno.20260205 250mg Out of stock Inquiry
  • Product code: LINS887159
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343821-13-6 / 4-[3,5-bis(4-sulfophenyl)phenyl]benzenesulfonic acid

Standard CAS: 343821-13-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
343821-13-6
Multi CAS
No
Molecular Formula
C24H18O9S3
Molecular Weight
546.600000
Exact Mass
546.011296
InChI
InChI=1S/C24H18O9S3/c25-34(26,27)22-7-1-16(2-8-22)19-13-20(17-3-9-23(10-4-17)35(28,29)30)15-21(14-19)18-5-11-24(12-6-18)36(31,32)33/h1-15H,(H,25,26,27)(H,28,29,30)(H,31,32,33)
InChIKey
BDGPLDATDJFTFM-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
36
Aromatic heavy atom count
24
Rotatable bonds
6
H-bond acceptors
6
H-bond donors
3
Molar refractivity
132.19
TPSA
163.11

LogP / Solubility

WLOGP
4.43
MLOGP
3.94
XLogP3
3
Consensus LogP
3.79
Log S (ESOL)
-6.12
Class (ESOL)
Insoluble
Log S (Ali)
-7.24
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.61
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.91

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4.5

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