CAS RN: 162100-50-7
1H-Indole,6-fluoro-2,3-dihydro-5-methyl-(9CI)
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.20260209 | 100mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS162100-50-7
- Purity/Analytical Methods: >99.0%
162100-50-7 / 6-fluoro-5-methyl-2,3-dihydro-1H-indole
Basic Information
CAS
162100-50-7
Multi CAS
No
Molecular Formula
C9H10FN
Molecular Weight
151.180000
Exact Mass
151.079727
SMILES
CC1=CC2=C(C=C1F)NCC2
InChI
InChI=1S/C9H10FN/c1-6-4-7-2-3-11-9(7)5-8(6)10/h4-5,11H,2-3H2,1H3
InChIKey
ILHXQOBTUCVYPL-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.33
H-bond acceptors
1
H-bond donors
1
Molar refractivity
43.33
TPSA
12.03
LogP / Solubility
WLOGP
2.1
MLOGP
1.84
XLogP3
2.4
Consensus LogP
2.11
Log S (ESOL)
-2.51
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.32
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.39
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.15
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
Customers Also Viewed
-
-
6-Chloro-1H-indole-5-carboxylic acid methyl ester
- CAS RN: 162100-83-6
- Product Code: SSC-069629
-
-
-
-
(R)-2,2-Dimethyl-3-(N-Boc)-4-ethynyl-oxazolidine
- CAS RN: 162107-48-4
- Product Code: SSC-069642
