CAS RN: 2758-98-7
2-Piperazinecarboxylic acid methyl ester
Product Availability
Choose a grade to view its available package options.
3 package records0 with current stock1 grade group
- Product code: starshine_CAS2758-98-7
- Purity/Analytical Methods: >99.0%
2758-98-7 / methyl piperazine-2-carboxylate
Basic Information
CAS
2758-98-7
Multi CAS
No
Molecular Formula
C6H12N2O2
Molecular Weight
144.170000
Exact Mass
144.089878
InChI
InChI=1S/C6H12N2O2/c1-10-6(9)5-4-7-2-3-8-5/h5,7-8H,2-4H2,1H3
InChIKey
ODQZNBWVRPKMKN-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Fraction Csp3
0.83
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
2
Molar refractivity
36.68
TPSA
50.36
LogP / Solubility
WLOGP
-1.28
MLOGP
-1.13
XLogP3
-0.9
Consensus LogP
-1.1
Log S (ESOL)
0.14
Class (ESOL)
Highly soluble
Log S (Ali)
0.18
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
0.34
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)
-4.51
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
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