CAS RN: 66854-99-7
H-Val-OiPr.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.20260101 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS66854-99-7
- Purity/Analytical Methods: >99.0%
66854-99-7 / propan-2-yl 2-amino-3-methylbutanoate;hydrochloride
Basic Information
CAS
66854-99-7
Multi CAS
Yes
Molecular Formula
C8H18CLNO2
Molecular Weight
195.690000
Exact Mass
195.102607
InChI
InChI=1S/C8H17NO2.ClH/c1-5(2)7(9)8(10)11-6(3)4;/h5-7H,9H2,1-4H3;1H
InChIKey
XHQDDUMWIYOHDY-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Fraction Csp3
0.88
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
1
Molar refractivity
51.29
TPSA
52.32
LogP / Solubility
WLOGP
1.34
MLOGP
1.18
XLogP3
1.34
Consensus LogP
1.29
Log S (ESOL)
-1.7
Class (ESOL)
Soluble
Log S (Ali)
-2.13
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.41
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)
-2.96
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
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