CAS RN: 1859218-30-6
CRRVPRNYXWCQPP-UHFFFAOYSA-N
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.20251015 | 5mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1859218-30-6
- Purity/Analytical Methods: >99.0%
1859218-30-6 / 1-(5-fluoropentyl)indole
Basic Information
CAS
1859218-30-6
Multi CAS
No
Molecular Formula
C13H16FN
Molecular Weight
205.270000
Exact Mass
205.126678
SMILES
C1=CC=C2C(=C1)C=CN2CCCCCF
InChI
InChI=1S/C13H16FN/c14-9-4-1-5-10-15-11-8-12-6-2-3-7-13(12)15/h2-3,6-8,11H,1,4-5,9-10H2
InChIKey
CRRVPRNYXWCQPP-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
9
Fraction Csp3
0.38
Rotatable bonds
5
H-bond acceptors
1
Molar refractivity
61.76
TPSA
4.93
LogP / Solubility
WLOGP
3.78
MLOGP
3.33
XLogP3
4.1
Consensus LogP
3.74
Log S (ESOL)
-3.61
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.97
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.73
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.29
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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