CAS RN: 1432680-58-4
1-(piperidin-4-ylmethyl)-2,5-dihydro-1H-pyrrole-2,5-dione hydrochloride
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.20251014 | 50mg / 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1432680-58-4
- Purity/Analytical Methods: >99.0%
1432680-58-4 / 1-(piperidin-4-ylmethyl)pyrrole-2,5-dione;hydrochloride
Basic Information
CAS
1432680-58-4
Multi CAS
No
Molecular Formula
C10H15ClN2O2
Molecular Weight
230.690000
Exact Mass
230.082205
SMILES
C1CNCCC1CN2C(=O)C=CC2=O.Cl
InChI
InChI=1S/C10H14N2O2.ClH/c13-9-1-2-10(14)12(9)7-8-3-5-11-6-4-8;/h1-2,8,11H,3-7H2;1H
InChIKey
ZBGMVUTXQPUMBH-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Fraction Csp3
0.6
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
58.7
TPSA
49.41
LogP / Solubility
WLOGP
0.33
MLOGP
0.3
XLogP3
0.33
Consensus LogP
0.32
Log S (ESOL)
-1.35
Class (ESOL)
Soluble
Log S (Ali)
-1.69
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.68
Class (SILICOS-IT)
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)
-3.89
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)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
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