CAS RN: 66866-68-0
N-Me-Ile-OH·HCl
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.20250330 | 250mg / 1g / 5g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS66866-68-0
- Purity/Analytical Methods: >99.0%
66866-68-0 / 3-methyl-2-(methylamino)pentanoic acid;hydrochloride
Basic Information
CAS
66866-68-0
Multi CAS
Yes
Molecular Formula
C7H16CLNO2
Molecular Weight
181.660000
Exact Mass
181.086956
InChI
InChI=1S/C7H15NO2.ClH/c1-4-5(2)6(8-3)7(9)10;/h5-6,8H,4H2,1-3H3,(H,9,10);1H
InChIKey
MMBGZHHBWVCZFK-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Fraction Csp3
0.86
Rotatable bonds
4
H-bond acceptors
2
H-bond donors
2
Molar refractivity
47.19
TPSA
49.33
LogP / Solubility
WLOGP
1.13
MLOGP
0.99
XLogP3
1.13
Consensus LogP
1.08
Log S (ESOL)
-1.41
Class (ESOL)
Soluble
Log S (Ali)
-1.86
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.26
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)
-3.03
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
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