![CAS 923565-72-4 1-Piperazinecarboxylic acid, 4-[[4-(2-Methoxy-2-oxoethyl)phenyl]Methyl]-2-Methyl-, 1,1-diMethylethyl ester, (2S)- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/923565-72-4.gif)
CAS RN: 923565-72-4
1-Piperazinecarboxylic acid, 4-[[4-(2-Methoxy-2-oxoethyl)phenyl]Methyl]-2-Methyl-, 1,1-diMethylethyl ester, (2S)-
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.20251221 | 100mg / 250mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS923565-72-4
- Purity/Analytical Methods: >99.0%
923565-72-4 / tert-butyl (2S)-4-[[4-(2-methoxy-2-oxoethyl)phenyl]methyl]-2-methylpiperazine-1-carboxylate
Basic Information
CAS
923565-72-4
Multi CAS
Yes
Molecular Formula
C20H30N2O4
Molecular Weight
362.500000
Exact Mass
362.220557
InChI
InChI=1S/C20H30N2O4/c1-15-13-21(10-11-22(15)19(24)26-20(2,3)4)14-17-8-6-16(7-9-17)12-18(23)25-5/h6-9,15H,10-14H2,1-5H3/t15-/m0/s1
InChIKey
LFHTWEIGXOXAAM-HNNXBMFYSA-N
Computed Properties
Structural Parameters
Heavy atom count
26
Aromatic heavy atom count
6
Fraction Csp3
0.6
Rotatable bonds
4
H-bond acceptors
5
Molar refractivity
99.84
TPSA
59.08
LogP / Solubility
WLOGP
2.84
MLOGP
2.52
XLogP3
2.6
Consensus LogP
2.65
Log S (ESOL)
-3.79
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.59
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.86
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
Yes
Log Kp (skin permeation)
-2.91
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3
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![CAS 923591-06-4 Methyl(1R,21S,24S)-21-tert–butyl-16,16-dimethyl-3,19,22-trioxo-2,18-dioxa-4,20,23-triazatetracyclo[21.2.1.1^4,7.0.^6,11]]heptacosa-6,8,10-triene-24-carboxylate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/923591-06-4.gif)