CAS RN: 112758-89-1
tert-butyl2-(piperazin-1-yl)ethylcarbamate
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.20250606 | 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS112758-89-1
- Purity/Analytical Methods: >99.0%
112758-89-1 / 1-phenyl-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine
Basic Information
CAS
112758-89-1
Multi CAS
Yes
Molecular Formula
C13H14N2
Molecular Weight
198.260000
Exact Mass
198.115698
SMILES
C1CN2C=CC=C2C(N1)C3=CC=CC=C3
InChI
InChI=1S/C13H14N2/c1-2-5-11(6-3-1)13-12-7-4-9-15(12)10-8-14-13/h1-7,9,13-14H,8,10H2
InChIKey
OJWIBJCTTSRXTB-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
11
Fraction Csp3
0.23
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
60.72
TPSA
16.96
LogP / Solubility
WLOGP
2.18
MLOGP
1.92
XLogP3
1.5
Consensus LogP
1.87
Log S (ESOL)
-2.92
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.76
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.88
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.38
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)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
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, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
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