CAS RN: 29574-21-8
1-Benzyl-3,5,7-triaza-1-azoniaadamantane 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.20260529 | 5mg / 25mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS29574-21-8
- Purity/Analytical Methods: >99.0%
29574-21-8 / 1-benzyl-3,5,7-triaza-1-azoniatricyclo[3.3.1.13,7]decane bromide
Basic Information
CAS
29574-21-8
Multi CAS
No
Molecular Formula
BC13H19Rn4
Molecular Weight
311.220000
Exact Mass
310.079310
InChI
InChI=1S/C13H19N4.BrH/c1-2-4-13(5-3-1)6-17-10-14-7-15(11-17)9-16(8-14)12-17;/h1-5H,6-12H2;1H/q+1;/p-1
InChIKey
YJMKPGPWDHCYCD-UHFFFAOYSA-M
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
6
Fraction Csp3
0.54
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
65.13
TPSA
9.72
LogP / Solubility
WLOGP
-2.3
MLOGP
-2.01
XLogP3
-2.3
Consensus LogP
-2.2
Log S (ESOL)
-0.43
Class (ESOL)
Very soluble
Log S (Ali)
-0.45
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.01
Class (SILICOS-IT)
Very soluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-6.25
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
6.5
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- CAS RN: 29582-31-8
- Product Code: starshine_CAS29582-31-8
- Purity/Analytical method: >99.0%
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