CAS RN: 54518-92-2
L-LEUCINE CHLOROMETHYL KETONE HYDROCHLORIDE
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.20251012 | 100mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS54518-92-2
- Purity/Analytical Methods: >99.0%
54518-92-2 / (3S)-3-amino-1-chloro-5-methylhexan-2-one;hydrochloride
Basic Information
CAS
54518-92-2
Multi CAS
Yes
Molecular Formula
C7H15CL2NO
Molecular Weight
200.100000
Exact Mass
199.053070
InChI
InChI=1S/C7H14ClNO.ClH/c1-5(2)3-6(9)7(10)4-8;/h5-6H,3-4,9H2,1-2H3;1H/t6-;/m0./s1
InChIKey
DRZZRBOLWKRHPF-RGMNGODLSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Fraction Csp3
0.86
Rotatable bonds
4
H-bond acceptors
2
H-bond donors
1
Molar refractivity
50.41
TPSA
43.09
LogP / Solubility
WLOGP
1.59
MLOGP
1.4
XLogP3
1.59
Consensus LogP
1.53
Log S (ESOL)
-1.82
Class (ESOL)
Soluble
Log S (Ali)
-2.35
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.76
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.81
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2
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