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CAS 866766-96-3 7-Iodo-2,3-dihydro-isoindol-1-one molecular structure lightbox
CAS RN: 866766-96-3

7-Iodo-2,3-dihydro-isoindol-1-one

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250111 50mg / 100mg / 250mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS866766-96-3
  • Purity/Analytical Methods: >99.0%
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866766-96-3 / 7-iodo-2,3-dihydroisoindol-1-one

Standard CAS: 866766-96-3 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
866766-96-3
Multi CAS
Yes
Molecular Formula
C8H6InO
Molecular Weight
259.040000
Exact Mass
258.949410
InChI
InChI=1S/C8H6INO/c9-6-3-1-2-5-4-10-8(11)7(5)6/h1-3H,4H2,(H,10,11)
InChIKey
QFKGKJNTMJUXMO-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.12
H-bond acceptors
1
H-bond donors
1
Molar refractivity
50.33
TPSA
29.1

LogP / Solubility

WLOGP
1.53
MLOGP
1.36
XLogP3
1.4
Consensus LogP
1.43
Log S (ESOL)
-2.82
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.79
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.62
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.21

Drug-likeness / Medicinal Chemistry

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

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