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CAS 73397-27-0 N-BOC-(2S,3S)-2-HYDROXY-3-AMINO-5-METHYLHEXANOIC ACID molecular structure lightbox
CAS RN: 73397-27-0

N-BOC-(2S,3S)-2-HYDROXY-3-AMINO-5-METHYLHEXANOIC ACID

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260420 250mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS73397-27-0
  • Purity/Analytical Methods: >99.0%
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73397-27-0 / (2S,3S)-2-hydroxy-5-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid

Standard CAS: 73397-27-0 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
73397-27-0
Multi CAS
Yes
Molecular Formula
C12H23NO5
Molecular Weight
261.310000
Exact Mass
261.157623
InChI
InChI=1S/C12H23NO5/c1-7(2)6-8(9(14)10(15)16)13-11(17)18-12(3,4)5/h7-9,14H,6H2,1-5H3,(H,13,17)(H,15,16)/t8-,9-/m0/s1
InChIKey
DJZCWTDKDFJARG-IUCAKERBSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Fraction Csp3
0.83
Rotatable bonds
5
H-bond acceptors
4
H-bond donors
3
Molar refractivity
66.26
TPSA
95.86

LogP / Solubility

WLOGP
1.37
MLOGP
1.21
XLogP3
1.6
Consensus LogP
1.39
Log S (ESOL)
-1.99
Class (ESOL)
Soluble
Log S (Ali)
-2.69
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.1
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.34

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2.5

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