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CAS 4430-24-4 3′,3”,5′,5”-Tetraiodophenolsulfonphthalein molecular structure lightbox
CAS RN: 4430-24-4

3′,3”,5′,5”-Tetraiodophenolsulfonphthalein

Product Availability

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4 package records2 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251003 1g In stock Shanghai, Shandong Inquiry
Batchno.20251211 5g In stock Shanghai Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250429 1g Out of stock Inquiry
Batchno.20250714 5g Out of stock Inquiry
  • Product code: ICTT0129
  • Purity/Analytical Methods: >80.0%(HPLC)
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4430-24-4 / 4-[3-(4-hydroxy-3,5-diiodophenyl)-1,1-dioxo-2,1lambda6-benzoxathiol-3-yl]-2,6-diiodophenol

Standard CAS: 4430-24-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
4430-24-4
Multi CAS
Yes
Molecular Formula
C19H10I4O5S
Molecular Weight
858.000000
Exact Mass
857.642800
InChI
InChI=1S/C19H10I4O5S/c20-12-5-9(6-13(21)17(12)24)19(10-7-14(22)18(25)15(23)8-10)11-3-1-2-4-16(11)29(26,27)28-19/h1-8,24-25H
InChIKey
RXNYILISXGUYFG-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
29
Aromatic heavy atom count
18
Fraction Csp3
0.05
Rotatable bonds
2
H-bond acceptors
5
H-bond donors
2
Molar refractivity
141.68
TPSA
83.83

LogP / Solubility

WLOGP
5.53
MLOGP
4.94
XLogP3
5.6
Consensus LogP
5.36
Log S (ESOL)
-8.97
Class (ESOL)
Insoluble
Log S (Ali)
-10.59
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-10.06
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-4.03

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.56
PAINS alerts
1
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3

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