![CAS 1227685-16-6 (5R,7S)-1-(3-fluorophenyl)-7-Methyl-1,8-diazaspiro[4.5]decan-2-one, 97%(HPLC) molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/1227685-16-6.png)
CAS RN: 1227685-16-6
(5R,7S)-1-(3-fluorophenyl)-7-Methyl-1,8-diazaspiro[4.5]decan-2-one, 97%(HPLC)
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.20251114 | 200mg | Out of stock | 5-7 business days | Inquiry |
- Product code: LINR926555
1227685-16-6 / (5R,7S)-1-(3-fluorophenyl)-7-methyl-1,8-diazaspiro[4.5]decan-2-one
Basic Information
CAS
1227685-16-6
Multi CAS
No
Molecular Formula
C15H19FN2O
Molecular Weight
262.320000
Exact Mass
262.148141
SMILES
C[C@H]1C[C@@]2(CCC(=O)N2C3=CC(=CC=C3)F)CCN1
InChI
InChI=1S/C15H19FN2O/c1-11-10-15(7-8-17-11)6-5-14(19)18(15)13-4-2-3-12(16)9-13/h2-4,9,11,17H,5-8,10H2,1H3/t11-,15+/m0/s1
InChIKey
HJUYUEUGWBGQKT-XHDPSFHLSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Aromatic heavy atom count
6
Fraction Csp3
0.53
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
72.55
TPSA
32.34
LogP / Solubility
WLOGP
2.46
MLOGP
2.18
XLogP3
1.8
Consensus LogP
2.15
Log S (ESOL)
-3.19
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.49
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.53
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.57
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
3.5
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