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CAS 1505525-07-4 N-Acetyl-6-azido-L-norleucine molecular structure lightbox
CAS RN: 1505525-07-4

N-Acetyl-6-azido-L-norleucine

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250202 250mg / 1g Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS1505525-07-4
  • Purity/Analytical Methods: >99.0%
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1505525-07-4 / (2S)-2-acetamido-6-azidohexanoic acid

Standard CAS: 1505525-07-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1505525-07-4
Multi CAS
No
Molecular Formula
C8H14N4O3
Molecular Weight
214.220000
Exact Mass
214.106590
SMILES
CC(=O)N[C@@H](CCCCN=[N+]=[N-])C(=O)O
InChI
InChI=1S/C8H14N4O3/c1-6(13)11-7(8(14)15)4-2-3-5-10-12-9/h7H,2-5H2,1H3,(H,11,13)(H,14,15)/t7-/m0/s1
InChIKey
YVTWABJVKYDHGY-ZETCQYMHSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Fraction Csp3
0.75
Rotatable bonds
7
H-bond acceptors
3
H-bond donors
2
Molar refractivity
53.1
TPSA
115.16

LogP / Solubility

WLOGP
1.06
MLOGP
0.93
XLogP3
1.1
Consensus LogP
1.03
Log S (ESOL)
-1.37
Class (ESOL)
Soluble
Log S (Ali)
-2.08
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.77
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.28

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
PAINS alerts
1
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2

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