CAS RN: 31676-49-0
7-Iodooxindole
Product Availability
Available package options are listed below.
1 package records0 with current stock
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260506 | 500mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS31676-49-0
- Purity/Analytical Methods: >99.0%
31676-49-0 / 7-iodo-1,3-dihydroindol-2-one
Basic Information
CAS
31676-49-0
Multi CAS
No
Molecular Formula
C8H6InO
Molecular Weight
259.040000
Exact Mass
258.949410
InChI
InChI=1S/C8H6INO/c9-6-3-1-2-5-4-7(11)10-8(5)6/h1-3H,4H2,(H,10,11)
InChIKey
KLJWMAKCVALVKZ-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
51.49
TPSA
29.1
LogP / Solubility
WLOGP
1.79
MLOGP
1.58
XLogP3
1.4
Consensus LogP
1.59
Log S (ESOL)
-2.97
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.97
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.83
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)
-3.03
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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