![CAS 844891-11-8 TERT-BUTYL 4-[4-(METHOXYCARBONYL)BENZYL]PIPERAZINE-1-CARBOXYLATE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/844891-11-8.gif)
CAS RN: 844891-11-8
TERT-BUTYL 4-[4-(METHOXYCARBONYL)BENZYL]PIPERAZINE-1-CARBOXYLATE
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250823 | 100mg / 250mg / 1g / 5g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS844891-11-8
- Purity/Analytical Methods: >99.0%
844891-11-8 / tert-butyl 4-[(4-methoxycarbonylphenyl)methyl]piperazine-1-carboxylate
Basic Information
CAS
844891-11-8
Multi CAS
No
Molecular Formula
C18H26N2O4
Molecular Weight
334.400000
Exact Mass
334.189257
InChI
InChI=1S/C18H26N2O4/c1-18(2,3)24-17(22)20-11-9-19(10-12-20)13-14-5-7-15(8-6-14)16(21)23-4/h5-8H,9-13H2,1-4H3
InChIKey
FVMXNXMOUWFRMQ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
24
Aromatic heavy atom count
6
Fraction Csp3
0.56
Rotatable bonds
3
H-bond acceptors
5
Molar refractivity
90.87
TPSA
59.08
LogP / Solubility
WLOGP
2.53
MLOGP
2.24
XLogP3
2.3
Consensus LogP
2.36
Log S (ESOL)
-3.49
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.13
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.29
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.97
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2.5
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