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CAS 136523-92-7 N-Fmoc-L-threonine Allyl Ester molecular structure lightbox
CAS RN: 136523-92-7

N-Fmoc-L-threonine Allyl Ester

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250806 250mg / 1g / 5g Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS136523-92-7
  • Purity/Analytical Methods: >99.0%
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136523-92-7 / prop-2-enyl (2S,3R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-hydroxybutanoate

Standard CAS: 136523-92-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
136523-92-7
Multi CAS
No
Molecular Formula
C22H23NO5
Molecular Weight
381.400000
Exact Mass
381.157623
SMILES
C[C@H]([C@@H](C(=O)OCC=C)NC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13)O
InChI
InChI=1S/C22H23NO5/c1-3-12-27-21(25)20(14(2)24)23-22(26)28-13-19-17-10-6-4-8-15(17)16-9-5-7-11-18(16)19/h3-11,14,19-20,24H,1,12-13H2,2H3,(H,23,26)/t14-,20+/m1/s1
InChIKey
GLXCMMPBFKKXPV-VLIAUNLRSA-N

Computed Properties

Structural Parameters

Heavy atom count
28
Aromatic heavy atom count
12
Fraction Csp3
0.27
Rotatable bonds
7
H-bond acceptors
5
H-bond donors
2
Molar refractivity
104.83
TPSA
84.86

LogP / Solubility

WLOGP
3
MLOGP
2.67
XLogP3
3.4
Consensus LogP
3.02
Log S (ESOL)
-3.95
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.86
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.47
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)
-2.91

Drug-likeness / Medicinal Chemistry

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

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