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CAS 14246-55-0 MYRISTOYL-GLY-OH molecular structure lightbox
CAS RN: 14246-55-0

MYRISTOYL-GLY-OH

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5 package records4 with current stock2 grade groups
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Batchno.20250222 10mg In stock Inquiry
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  • Product code: starshine_CAS14246-55-0
  • Purity/Analytical Methods: >99.0%
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14246-55-0 / 2-(tetradecanoylamino)acetic acid

Standard CAS: 14246-55-0 Multi CAS: No
Basic Information Physical Properties Computed Properties

Basic Information

CAS
14246-55-0
Multi CAS
No
Molecular Formula
C16H31NO3
Molecular Weight
285.420000
Exact Mass
285.230394
SMILES
CCCCCCCCCCCCCC(=O)NCC(=O)O
InChI
InChI=1S/C16H31NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-15(18)17-14-16(19)20/h2-14H2,1H3,(H,17,18)(H,19,20)
InChIKey
DYUGTPXLDJQBRB-UHFFFAOYSA-N

Physical Properties

Physical Description
Solid
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
20
Fraction Csp3
0.88
Rotatable bonds
14
H-bond acceptors
2
H-bond donors
2
Molar refractivity
81.72
TPSA
66.4

LogP / Solubility

WLOGP
3.89
MLOGP
3.43
XLogP3
5.4
Consensus LogP
4.24
Log S (ESOL)
-3.14
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.71
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.42
Class (SILICOS-IT)
Insoluble

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)
-1.7

Drug-likeness / Medicinal Chemistry

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

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