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CAS 146306-79-8 Fmoc-L-Abu(3R-N3)-OH molecular structure lightbox
CAS RN: 146306-79-8

Fmoc-L-Abu(3R-N3)-OH

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260402 100mg / 250mg / 1g Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS146306-79-8
  • Purity/Analytical Methods: >99.0%
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146306-79-8 / (2S,3R)-3-azido-2-(9H-fluoren-9-ylmethoxycarbonylamino)butanoic acid

Standard CAS: 146306-79-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
146306-79-8
Multi CAS
No
Molecular Formula
C19H18N4O4
Molecular Weight
366.400000
Exact Mass
366.132805
SMILES
C[C@H]([C@@H](C(=O)O)NC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13)N=[N+]=[N-]
InChI
InChI=1S/C19H18N4O4/c1-11(22-23-20)17(18(24)25)21-19(26)27-10-16-14-8-4-2-6-12(14)13-7-3-5-9-15(13)16/h2-9,11,16-17H,10H2,1H3,(H,21,26)(H,24,25)/t11-,17+/m1/s1
InChIKey
LLJMYBCJYQGZOS-DIFFPNOSSA-N

Computed Properties

Structural Parameters

Heavy atom count
27
Aromatic heavy atom count
12
Fraction Csp3
0.26
Rotatable bonds
6
H-bond acceptors
4
H-bond donors
2
Molar refractivity
98.24
TPSA
124.39

LogP / Solubility

WLOGP
3.68
MLOGP
3.26
XLogP3
4
Consensus LogP
3.65
Log S (ESOL)
-4.36
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.22
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.81
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.34

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
PAINS alerts
1
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3.5

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