![CAS 1283090-74-3 1-Benzyl-6-chloro-7-fluoro-1H-spiro[furo[3,4-c]pyridine-3,4-piperidin]-1-one molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1283090-74-3.gif)
CAS RN: 1283090-74-3
1-Benzyl-6-chloro-7-fluoro-1H-spiro[furo[3,4-c]pyridine-3,4-piperidin]-1-one
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.20250929 | 1g / 5g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS1283090-74-3
- Purity/Analytical Methods: >99.0%
1283090-74-3 / 1'-benzyl-6-chloro-7-fluorospiro[furo[3,4-c]pyridine-3,4'-piperidine]-1-one
Basic Information
CAS
1283090-74-3
Multi CAS
No
Molecular Formula
C18H16ClFN2O2
Molecular Weight
346.800000
Exact Mass
346.088434
SMILES
C1CN(CCC12C3=CN=C(C(=C3C(=O)O2)F)Cl)CC4=CC=CC=C4
InChI
InChI=1S/C18H16ClFN2O2/c19-16-15(20)14-13(10-21-16)18(24-17(14)23)6-8-22(9-7-18)11-12-4-2-1-3-5-12/h1-5,10H,6-9,11H2
InChIKey
ASRXEBHNHZCNOT-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
24
Aromatic heavy atom count
12
Fraction Csp3
0.33
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
87.25
TPSA
42.43
LogP / Solubility
WLOGP
3.54
MLOGP
3.13
XLogP3
3.2
Consensus LogP
3.29
Log S (ESOL)
-4.46
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.96
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.09
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.32
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4
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