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CAS 19028-28-5 DITOLYLIODONIUM CHLORIDE molecular structure lightbox
CAS RN: 19028-28-5

DITOLYLIODONIUM CHLORIDE

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20251121 100mg / 1g / 5g Confirm by inquiry Shanghai 5-7 business days Inquiry
  • Product code: starshine_CAS19028-28-5
  • Purity/Analytical Methods: >99.0%
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19028-28-5 / bis(4-methylphenyl)iodanium chloride

Standard CAS: 19028-28-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
19028-28-5
Multi CAS
No
Molecular Formula
C14H14ClI
Molecular Weight
344.620000
Exact Mass
343.982880
SMILES
CC1=CC=C(C=C1)[I+]C2=CC=C(C=C2)C.[Cl-]
InChI
InChI=1S/C14H14I.ClH/c1-11-3-7-13(8-4-11)15-14-9-5-12(2)6-10-14;/h3-10H,1-2H3;1H/q+1;/p-1
InChIKey
SRMQETMVLPPTFX-UHFFFAOYSA-M

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
12
Fraction Csp3
0.14
Rotatable bonds
2
H-bond acceptors
1
Molar refractivity
59.75
TPSA
0.0000

LogP / Solubility

WLOGP
-2.56
MLOGP
-2.24
XLogP3
-2.56
Consensus LogP
-2.45
Log S (ESOL)
-0.78
Class (ESOL)
Very soluble
Log S (Ali)
-0.53
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.01
Class (SILICOS-IT)
Very 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)
-6.64

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5

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