CAS RN: 1346600-15-4
AM-694-d4
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.20251119 | 10mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS1346600-15-4
- Purity/Analytical Methods: >99.0%
1346600-15-4 / [1-(5-fluoropentyl)indol-3-yl]-(2,3,4,5-tetradeuterio-6-iodophenyl)methanone
Basic Information
CAS
1346600-15-4
Multi CAS
No
Molecular Formula
C20H19FINO
Molecular Weight
439.300000
Exact Mass
439.074650
SMILES
[2H]C1=C(C(=C(C(=C1[2H])C(=O)C2=CN(C3=CC=CC=C32)CCCCCF)I)[2H])[2H]
InChI
InChI=1S/C20H19FINO/c21-12-6-1-7-13-23-14-17(15-8-3-5-11-19(15)23)20(24)16-9-2-4-10-18(16)22/h2-5,8-11,14H,1,6-7,12-13H2/i2D,4D,9D,10D
InChIKey
LFFIIZFINPPEMC-ZXBLQHTISA-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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![CAS 1346601-74-8 1-(3-Methoxyphenyl)-2-[[Methyl(phenylMethyl)aMino]Methyl]-cyclohexanol molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB42621999(1).gif)