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CAS 64018-22-0 disodium 3,3′-(phenylphosphinediyl)bis(benzene-1-sulphonate) molecular structure lightbox
CAS RN: 64018-22-0

disodium 3,3′-(phenylphosphinediyl)bis(benzene-1-sulphonate)

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3 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260609 100mg In stock Shanghai Inquiry
Batchno.20251231 1g In stock Shanghai Inquiry
Batchno.20250927 250mg In stock Shanghai Inquiry
  • Product code: starshine_CAS64018-22-0
  • Purity/Analytical Methods: >99.0%
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64018-22-0 / disodium;3-[phenyl-(3-sulfonatophenyl)phosphanyl]benzenesulfonate

Standard CAS: 64018-22-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
64018-22-0
Multi CAS
No
Molecular Formula
C18H13NA2O6PS2
Molecular Weight
466.400000
Exact Mass
465.968656
InChI
InChI=1S/C18H15O6PS2.2Na/c19-26(20,21)17-10-4-8-15(12-17)25(14-6-2-1-3-7-14)16-9-5-11-18(13-16)27(22,23)24;;/h1-13H,(H,19,20,21)(H,22,23,24);;/q;2*+1/p-2
InChIKey
PWRPHTBBQPNXQA-UHFFFAOYSA-L

Computed Properties

Structural Parameters

Heavy atom count
29
Aromatic heavy atom count
18
Rotatable bonds
5
H-bond acceptors
6
Molar refractivity
101.07
TPSA
114.4

LogP / Solubility

WLOGP
-4.74
MLOGP
-4.14
XLogP3
-4.74
Consensus LogP
-4.54
Log S (ESOL)
0.12
Class (ESOL)
Highly soluble
Log S (Ali)
0.04
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
0.64
Class (SILICOS-IT)
Highly soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-8.93

Drug-likeness / Medicinal Chemistry

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

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