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CAS 260450-76-8 FMOC-L-ASPARAGINOL molecular structure lightbox
CAS RN: 260450-76-8

FMOC-L-ASPARAGINOL

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250412 1g Out of stock 15 business days Inquiry
  • Product code: starshine_CAS260450-76-8
  • Purity/Analytical Methods: >99.0%
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260450-76-8 / 9H-fluoren-9-ylmethyl N-[(2S)-4-amino-1-hydroxy-4-oxobutan-2-yl]carbamate

Standard CAS: 260450-76-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
260450-76-8
Multi CAS
No
Molecular Formula
C19H20N2O4
Molecular Weight
340.400000
Exact Mass
340.142307
SMILES
C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)N[C@@H](CC(=O)N)CO
InChI
InChI=1S/C19H20N2O4/c20-18(23)9-12(10-22)21-19(24)25-11-17-15-7-3-1-5-13(15)14-6-2-4-8-16(14)17/h1-8,12,17,22H,9-11H2,(H2,20,23)(H,21,24)/t12-/m0/s1
InChIKey
WAVDQIGBMJCGLD-LBPRGKRZSA-N

Computed Properties

Structural Parameters

Heavy atom count
25
Aromatic heavy atom count
12
Fraction Csp3
0.26
Rotatable bonds
6
H-bond acceptors
4
H-bond donors
3
Molar refractivity
92.89
TPSA
101.65

LogP / Solubility

WLOGP
1.76
MLOGP
1.57
XLogP3
1.3
Consensus LogP
1.54
Log S (ESOL)
-3.02
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.62
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.05
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.55

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
3

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