![CAS 795313-24-5 8-(2,3-Dichlorophenyl)-8-aza-5-azoniaspiro[4.5]decane BroMide molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/795313-24-5.gif)
CAS RN: 795313-24-5
8-(2,3-Dichlorophenyl)-8-aza-5-azoniaspiro[4.5]decane BroMide
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.20260303 | 100mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS795313-24-5
- Purity/Analytical Methods: >99.0%
795313-24-5 / 8-(2,3-dichlorophenyl)-8-aza-5-azoniaspiro[4.5]decane bromide
Basic Information
CAS
795313-24-5
Multi CAS
No
Molecular Formula
C14H19BRCL2N2
Molecular Weight
366.100000
Exact Mass
364.010870
InChI
InChI=1S/C14H19Cl2N2.BrH/c15-12-4-3-5-13(14(12)16)17-6-10-18(11-7-17)8-1-2-9-18;/h3-5H,1-2,6-11H2;1H/q+1;/p-1
InChIKey
SEDIOOIGAOGDMF-UHFFFAOYSA-M
Computed Properties
Structural Parameters
Heavy atom count
19
Aromatic heavy atom count
6
Fraction Csp3
0.57
Rotatable bonds
1
H-bond acceptors
1
Molar refractivity
77.64
TPSA
3.24
LogP / Solubility
WLOGP
0.43
MLOGP
0.4
XLogP3
0.43
Consensus LogP
0.42
Log S (ESOL)
-2.55
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.87
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.52
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)
-4.65
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
2.5
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