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CAS 93667-66-4 dl-3-Methylvaline, HCl molecular structure lightbox
CAS RN: 93667-66-4

dl-3-Methylvaline, HCl

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260513 25g Out of stock 15 business days Inquiry
  • Product code: starshine_CAS93667-66-4
  • Purity/Analytical Methods: >99.0%
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93667-66-4 / (2S)-2-amino-3,3-dimethylbutanoic acid;hydrochloride

Standard CAS: 93667-66-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
93667-66-4
Multi CAS
Yes
Molecular Formula
C6H14CLNO2
Molecular Weight
167.630000
Exact Mass
167.071306
InChI
InChI=1S/C6H13NO2.ClH/c1-6(2,3)4(7)5(8)9;/h4H,7H2,1-3H3,(H,8,9);1H
InChIKey
OLMBOHVAVKHHTK-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Fraction Csp3
0.83
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
42.31
TPSA
63.32

LogP / Solubility

WLOGP
0.87
MLOGP
0.76
XLogP3
0.87
Consensus LogP
0.83
Log S (ESOL)
-1.36
Class (ESOL)
Soluble
Log S (Ali)
-1.56
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.59
Class (SILICOS-IT)
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)
-3.13

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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