CAS RN: 58005-18-8
N-isopropyltropinium
Product Availability
Available package options are listed below.
1 package records0 with current stock
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250822 | 10mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS58005-18-8
- Purity/Analytical Methods: >99.0%
58005-18-8 / 8-methyl-8-propan-2-yl-8-azoniabicyclo[3.2.1]octan-3-ol bromide
Basic Information
CAS
58005-18-8
Multi CAS
Yes
Molecular Formula
BC11H22ORn
Molecular Weight
264.200000
Exact Mass
263.088480
InChI
InChI=1S/C11H22NO.BrH/c1-8(2)12(3)9-4-5-10(12)7-11(13)6-9;/h8-11,13H,4-7H2,1-3H3;1H/q+1;/p-1
InChIKey
YKNOMJKDKYEKDF-UHFFFAOYSA-M
Computed Properties
Structural Parameters
Heavy atom count
14
Fraction Csp3
1
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
53.37
TPSA
20.23
LogP / Solubility
WLOGP
-1.47
MLOGP
-1.28
XLogP3
-1.47
Consensus LogP
-1.41
Log S (ESOL)
-0.49
Class (ESOL)
Very soluble
Log S (Ali)
-0.67
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.28
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)
-5.37
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
4.5
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