CAS RN: 141516-24-7
1-Piperazinepropanamine,4-acetyl-(9CI)
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.20260628 | 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS141516-24-7
- Purity/Analytical Methods: >99.0%
141516-24-7 / 1-[4-(3-aminopropyl)piperazin-1-yl]ethanone
Basic Information
CAS
141516-24-7
Multi CAS
No
Molecular Formula
C9H19N3O
Molecular Weight
185.270000
Exact Mass
185.152812
SMILES
CC(=O)N1CCN(CC1)CCCN
InChI
InChI=1S/C9H19N3O/c1-9(13)12-7-5-11(6-8-12)4-2-3-10/h2-8,10H2,1H3
InChIKey
RSXHTKGIQPDYQI-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Fraction Csp3
0.89
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
1
Molar refractivity
52.37
TPSA
49.57
LogP / Solubility
WLOGP
-0.5
MLOGP
-0.44
XLogP3
-1
Consensus LogP
-0.65
Log S (ESOL)
-0.48
Class (ESOL)
Very soluble
Log S (Ali)
-0.72
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.81
Class (SILICOS-IT)
Very soluble
ADME
GI absorption
Low
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)
-4.21
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
Safety & Transport
Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Customers Also Viewed
-
Trifloxystrobin
- CAS RN: 141517-21-7
- Product Code: starshine_CAS141517-21-7
- Purity/Analytical method: >99.0%
-
-
5-Chloro-2-methyl-imidazo[1,2-a]pyridine-3-carboxylic acid ethyl ester
- CAS RN: 141517-48-8
- Product Code: SSC-051830
-
(R)-Methyl 2-((tert-butoxycarbonyl)aMino)-2-(4-hydroxyphenyl)acetate
- CAS RN: 141518-55-0
- Product Code: SSC-051831
-
-
![CAS 141517-47-7 5-Chloro-2-Methylimidazo[1,2-A]Pyridine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/141517-47-7.gif)
![CAS 141517-48-8 5-Chloro-2-methyl-imidazo[1,2-a]pyridine-3-carboxylic acid ethyl ester molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/141517-48-8.gif)
