CAS RN: 52467-54-6
Z-LEU-CHLOROMETHYLKETONE
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.20250519 | 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS52467-54-6
- Purity/Analytical Methods: >99.0%
52467-54-6 / benzyl N-[(3S)-1-chloro-5-methyl-2-oxohexan-3-yl]carbamate
Basic Information
CAS
52467-54-6
Multi CAS
Yes
Molecular Formula
C15H20CLNO3
Molecular Weight
297.780000
Exact Mass
297.113171
InChI
InChI=1S/C15H20ClNO3/c1-11(2)8-13(14(18)9-16)17-15(19)20-10-12-6-4-3-5-7-12/h3-7,11,13H,8-10H2,1-2H3,(H,17,19)/t13-/m0/s1
InChIKey
FZWQHSCPNKTIRU-ZDUSSCGKSA-N
Computed Properties
Structural Parameters
Heavy atom count
20
Aromatic heavy atom count
6
Fraction Csp3
0.47
Rotatable bonds
7
H-bond acceptors
3
H-bond donors
1
Molar refractivity
78.73
TPSA
55.4
LogP / Solubility
WLOGP
3.14
MLOGP
2.77
XLogP3
3.5
Consensus LogP
3.14
Log S (ESOL)
-3.42
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.27
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.04
Class (SILICOS-IT)
Slightly 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)
-2.31
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2
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