CAS RN: 1883284-94-3
FDU-PB22
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.20251126 | 1mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1883284-94-3
- Purity/Analytical Methods: >99.0%
1883284-94-3 / naphthalen-1-yl 1-[(4-fluorophenyl)methyl]indole-3-carboxylate
Basic Information
CAS
1883284-94-3
Multi CAS
No
Molecular Formula
C26H18FNO2
Molecular Weight
395.400000
Exact Mass
395.132157
SMILES
C1=CC=C2C(=C1)C=CC=C2OC(=O)C3=CN(C4=CC=CC=C43)CC5=CC=C(C=C5)F
InChI
InChI=1S/C26H18FNO2/c27-20-14-12-18(13-15-20)16-28-17-23(22-9-3-4-10-24(22)28)26(29)30-25-11-5-7-19-6-1-2-8-21(19)25/h1-15,17H,16H2
InChIKey
RCEKSVIFQKKFLS-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
30
Aromatic heavy atom count
25
Fraction Csp3
0.04
Rotatable bonds
4
H-bond acceptors
3
Molar refractivity
116.35
TPSA
31.23
LogP / Solubility
WLOGP
6.2
MLOGP
5.48
XLogP3
6.4
Consensus LogP
6.03
Log S (ESOL)
-6.55
Class (ESOL)
Insoluble
Log S (Ali)
-7.28
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.86
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)
-0.73
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3.5
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