[email protected]
CAS 1240583-20-3 (5S)-5-Methyl-2-Piperazinone molecular structure lightbox
CAS RN: 1240583-20-3

(5S)-5-Methyl-2-Piperazinone

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250118 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS1240583-20-3
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

1240583-20-3 / (5S)-5-methylpiperazin-2-one

Standard CAS: 1240583-20-3 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1240583-20-3
Multi CAS
No
Molecular Formula
C5H10N2O
Molecular Weight
114.150000
Exact Mass
114.079313
SMILES
C[C@H]1CNC(=O)CN1
InChI
InChI=1S/C5H10N2O/c1-4-2-7-5(8)3-6-4/h4,6H,2-3H2,1H3,(H,7,8)/t4-/m0/s1
InChIKey
SODLPCCEKPQWAY-BYPYZUCNSA-N

Computed Properties

Structural Parameters

Heavy atom count
8
Fraction Csp3
0.8
H-bond acceptors
2
H-bond donors
2
Molar refractivity
30.47
TPSA
41.13

LogP / Solubility

WLOGP
-0.91
MLOGP
-0.81
XLogP3
-0.7
Consensus LogP
-0.81
Log S (ESOL)
0.02
Class (ESOL)
Highly soluble
Log S (Ali)
0.16
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
0.35
Class (SILICOS-IT)
Highly 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)
-4.06

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2

Safety & Transport

Pictogram(s)
Corrosive Irritant
Signal
Danger
GHS Hazard Statements
H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P260, P261, P264, P271, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P319, P321, P363, P403+P233, P405, and P501

Customers Also Viewed

Get In Touch

Contact Us