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CAS 24003-67-6 N-(1-oxohexyl)-glycine molecular structure lightbox
CAS RN: 24003-67-6

N-(1-oxohexyl)-glycine

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5 package records5 with current stock2 grade groups
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Batchno.20260502 5mg / 25mg / 100mg / 500mg / 1g Confirm by inquiry Shanghai Inquiry
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  • Product code: starshine_CAS24003-67-6
  • Purity/Analytical Methods: >99.0%
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24003-67-6 / 2-(hexanoylamino)acetic acid

Standard CAS: 24003-67-6 Multi CAS: No
Basic Information Physical Properties Computed Properties

Basic Information

CAS
24003-67-6
Multi CAS
No
Molecular Formula
C8H15NO3
Molecular Weight
173.210000
Exact Mass
173.105193
SMILES
CCCCCC(=O)NCC(=O)O
InChI
InChI=1S/C8H15NO3/c1-2-3-4-5-7(10)9-6-8(11)12/h2-6H2,1H3,(H,9,10)(H,11,12)
InChIKey
UPCKIPHSXMXJOX-UHFFFAOYSA-N

Physical Properties

Physical Description
Solid
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
12
Fraction Csp3
0.75
Rotatable bonds
6
H-bond acceptors
2
H-bond donors
2
Molar refractivity
44.79
TPSA
66.4

LogP / Solubility

WLOGP
0.77
MLOGP
0.67
XLogP3
1
Consensus LogP
0.81
Log S (ESOL)
-1
Class (ESOL)
Soluble
Log S (Ali)
-1.53
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.14
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)
-3.23

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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