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CAS 67617-35-0 H-D-LEU-OTBU HCL molecular structure lightbox
CAS RN: 67617-35-0

H-D-LEU-OTBU HCL

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260114 5g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS67617-35-0
  • Purity/Analytical Methods: >99.0%
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67617-35-0 / tert-butyl 2-amino-4-methylpentanoate

Standard CAS: 67617-35-0 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
67617-35-0
Multi CAS
Yes
Molecular Formula
C10H21NO2
Molecular Weight
187.280000
Exact Mass
187.157229
InChI
InChI=1S/C10H21NO2/c1-7(2)6-8(11)9(12)13-10(3,4)5/h7-8H,6,11H2,1-5H3
InChIKey
HBEJJYHFTZDAHZ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Fraction Csp3
0.9
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
1
Molar refractivity
53.28
TPSA
52.32

LogP / Solubility

WLOGP
1.7
MLOGP
1.5
XLogP3
1.9
Consensus LogP
1.7
Log S (ESOL)
-1.88
Class (ESOL)
Soluble
Log S (Ali)
-2.32
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.65
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)
-2.65

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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