![CAS 61271-84-9 1-(4-chlorophenyl)- 1,3,8-triazaspiro[4.5]decan-4-one molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/61271-84-9.gif)
CAS RN: 61271-84-9
1-(4-chlorophenyl)- 1,3,8-triazaspiro[4.5]decan-4-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.20251104 | 250mg / 1g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS61271-84-9
- Purity/Analytical Methods: >99.0%
61271-84-9 / 1-(4-chlorophenyl)-1,3,8-triazaspiro[4.5]decan-4-one
Basic Information
CAS
61271-84-9
Multi CAS
No
Molecular Formula
C13H16CLN3O
Molecular Weight
265.740000
Exact Mass
265.098190
InChI
InChI=1S/C13H16ClN3O/c14-10-1-3-11(4-2-10)17-9-16-12(18)13(17)5-7-15-8-6-13/h1-4,15H,5-9H2,(H,16,18)
InChIKey
PSTZLFWHHJKOJF-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
6
Fraction Csp3
0.46
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
2
Molar refractivity
71.78
TPSA
44.37
LogP / Solubility
WLOGP
1.36
MLOGP
1.2
XLogP3
1.4
Consensus LogP
1.32
Log S (ESOL)
-2.52
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.72
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.63
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.38
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2.5
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- CAS RN: 61278-38-4
- Product Code: starshine_CAS61278-38-4
- Purity/Analytical method: >99.0%
