CAS RN: 438050-54-5
tert-butyl (3R)-4-(chlorocarbonyl)-3-methylpiperazine-1-carboxylate
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.20250420 | 5g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS438050-54-5
- Purity/Analytical Methods: >99.0%
438050-54-5 / tert-butyl (3R)-4-carbonochloridoyl-3-methylpiperazine-1-carboxylate
Basic Information
CAS
438050-54-5
Multi CAS
No
Molecular Formula
C11H19CLN2O3
Molecular Weight
262.730000
Exact Mass
262.108420
InChI
InChI=1S/C11H19ClN2O3/c1-8-7-13(5-6-14(8)9(12)15)10(16)17-11(2,3)4/h8H,5-7H2,1-4H3/t8-/m1/s1
InChIKey
BSLGONYLMNUSQK-MRVPVSSYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Fraction Csp3
0.82
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
65.22
TPSA
49.85
LogP / Solubility
WLOGP
2.29
MLOGP
2.02
XLogP3
1.9
Consensus LogP
2.07
Log S (ESOL)
-2.91
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.37
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.27
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.7
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2
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