CAS RN: 1132-60-1
piperidine-1-propanesulphonic acid
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.20250728 | 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1132-60-1
- Purity/Analytical Methods: >99.0%
1132-60-1 / 3-piperidin-1-ylpropane-1-sulfonic acid
1-Piperidinepropanesulfonic acid | Piperidine-1-propanesulphonic acid | EINECS 214-476-4
Basic Information
CAS
1132-60-1
Multi CAS
Yes
Molecular Formula
C8H17NO3S
Molecular Weight
207.290000
Exact Mass
207.092915
SMILES
C1CCN(CC1)CCCS(=O)(=O)O
InChI
InChI=1S/C8H17NO3S/c10-13(11,12)8-4-7-9-5-2-1-3-6-9/h1-8H2,(H,10,11,12)
InChIKey
ALDBKVFJKDDXNP-UHFFFAOYSA-N
Synonyms
1-Piperidinepropanesulfonic acid
Piperidine-1-propanesulphonic acid
EINECS 214-476-4
DTXSID20150319
NSC 226368
Computed Properties
Structural Parameters
Heavy atom count
13
Fraction Csp3
1
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
1
Molar refractivity
51.32
TPSA
57.61
LogP / Solubility
WLOGP
0.75
MLOGP
0.66
XLogP3
-1.9
Consensus LogP
-0.16
Log S (ESOL)
-1.33
Class (ESOL)
Soluble
Log S (Ali)
-1.8
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.11
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)
-3.45
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
1.5
Safety & Transport
Pictogram(s)
Corrosive
Irritant
Signal
Danger
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
H318 (100%): Causes serious eye damage [Danger 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+P354+P338, P317, P319, P321, P332+P317, P362+P364, P403+P233, P405, and P501
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