CAS RN: 567-56-6
L-Isoleucine ethyl ester 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.20251016 | 100g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS567-56-6
- Purity/Analytical Methods: >99.0%
567-56-6 / 1-chloro-4-[2-chloro-1-(4-chlorophenyl)-2,2-difluoroethyl]benzene
Basic Information
CAS
567-56-6
Multi CAS
Yes
Molecular Formula
C14H9CL3F2
Molecular Weight
321.600000
Exact Mass
319.973790
InChI
InChI=1S/C14H9Cl3F2/c15-11-5-1-9(2-6-11)13(14(17,18)19)10-3-7-12(16)8-4-10/h1-8,13H
InChIKey
FJJSIRAOYLIKEZ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Aromatic heavy atom count
12
Fraction Csp3
0.14
Rotatable bonds
3
H-bond acceptors
2
Molar refractivity
75.55
TPSA
0.0000
LogP / Solubility
WLOGP
5.96
MLOGP
5.26
XLogP3
6.4
Consensus LogP
5.87
Log S (ESOL)
-5.86
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.5
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.05
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-0.45
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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