CAS RN: 528818-82-8
1-methyl-1-propylpyrrolidinium chloride
Product Availability
Choose a grade to view its available package options.
4 package records0 with current stock1 grade group
- Product code: starshine_CAS528818-82-8
- Purity/Analytical Methods: >99.0%
528818-82-8 / 1-methyl-1-propylpyrrolidin-1-ium chloride
Basic Information
CAS
528818-82-8
Multi CAS
No
Molecular Formula
C8H18CLN
Molecular Weight
163.690000
Exact Mass
163.112777
InChI
InChI=1S/C8H18N.ClH/c1-3-6-9(2)7-4-5-8-9;/h3-8H2,1-2H3;1H/q+1;/p-1
InChIKey
RCEZHULDQZVHHG-UHFFFAOYSA-M
Computed Properties
Structural Parameters
Heavy atom count
10
Fraction Csp3
1
Rotatable bonds
2
H-bond acceptors
1
Molar refractivity
40.31
TPSA
0.0000
LogP / Solubility
WLOGP
-1.36
MLOGP
-1.2
XLogP3
-1.36
Consensus LogP
-1.31
Log S (ESOL)
0.13
Class (ESOL)
Highly soluble
Log S (Ali)
0.08
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
0.16
Class (SILICOS-IT)
Highly 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)
-4.68
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
Customers Also Viewed
-
(R)-1-(furan-2-yl)ethan-1-amine hydrochloride
- CAS RN: 528819-19-4
- Product Code: starshine_CAS528819-19-4
- Purity/Analytical method: >99.0%
-
-
(S)-BINAPINE
- CAS RN: 528854-26-4
- Product Code: starshine_CAS528854-26-4
- Purity/Analytical method: >99.0%
-
1,2-Bis((2S,5S)-2,5-di-i-propylphospholano)ethane, min. 97%
- CAS RN: 528854-34-4
- Product Code: starshine_CAS528854-34-4
- Purity/Analytical method: >99.0%
-
2,3-DIHYDRO-1H-INDOLE-3-CARBOXYLIC ACID METHYL ESTER
- CAS RN: 528862-00-2
- Product Code: SSC-160026
-
2,2′,3,3′-TETRAHYDRO-[5,5′-BITHIENO[3,4-B]-1,4-DIOXIN]-7,7′-DICARBOXALDEHYDE
- CAS RN: 528870-51-1
- Product Code: SSC-160028
![CAS 528870-51-1 2,2′,3,3′-TETRAHYDRO-[5,5′-BITHIENO[3,4-B]-1,4-DIOXIN]-7,7′-DICARBOXALDEHYDE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/528870-51-1.gif)