CAS RN: 1427325-91-4
AM694 3-iodo isomer
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260129 | 1mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1427325-91-4
- Purity/Analytical Methods: >99.0%
1427325-91-4 / [1-(5-fluoropentyl)indol-3-yl]-(3-iodophenyl)methanone
Basic Information
CAS
1427325-91-4
Multi CAS
No
Molecular Formula
C20H19FINO
Molecular Weight
435.300000
Exact Mass
435.049540
SMILES
C1=CC=C2C(=C1)C(=CN2CCCCCF)C(=O)C3=CC(=CC=C3)I
InChI
InChI=1S/C20H19FINO/c21-11-4-1-5-12-23-14-18(17-9-2-3-10-19(17)23)20(24)15-7-6-8-16(22)13-15/h2-3,6-10,13-14H,1,4-5,11-12H2
InChIKey
QIKGCUFVLWGTKU-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
24
Aromatic heavy atom count
15
Fraction Csp3
0.25
Rotatable bonds
7
H-bond acceptors
2
Molar refractivity
104.36
TPSA
22
LogP / Solubility
WLOGP
5.62
MLOGP
4.97
XLogP3
5.3
Consensus LogP
5.3
Log S (ESOL)
-6.08
Class (ESOL)
Insoluble
Log S (Ali)
-7.18
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.99
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.39
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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