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CAS 132286-79-4 Boc-L-glutamic acid γ-allyl ester molecular structure lightbox
CAS RN: 132286-79-4

Boc-L-glutamic acid γ-allyl ester

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250903 250mg / 1g Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS132286-79-4
  • Purity/Analytical Methods: >99.0%
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132286-79-4 / (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxo-5-prop-2-enoxypentanoic acid

Standard CAS: 132286-79-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
132286-79-4
Multi CAS
No
Molecular Formula
C13H21NO6
Molecular Weight
287.310000
Exact Mass
287.136887
SMILES
CC(C)(C)OC(=O)N[C@@H](CCC(=O)OCC=C)C(=O)O
InChI
InChI=1S/C13H21NO6/c1-5-8-19-10(15)7-6-9(11(16)17)14-12(18)20-13(2,3)4/h5,9H,1,6-8H2,2-4H3,(H,14,18)(H,16,17)/t9-/m0/s1
InChIKey
VNZYUMCXQWYCAW-VIFPVBQESA-N

Computed Properties

Structural Parameters

Heavy atom count
20
Fraction Csp3
0.62
Rotatable bonds
7
H-bond acceptors
5
H-bond donors
2
Molar refractivity
71.18
TPSA
101.93

LogP / Solubility

WLOGP
1.47
MLOGP
1.31
XLogP3
1.4
Consensus LogP
1.39
Log S (ESOL)
-2.09
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.98
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.59
Class (SILICOS-IT)
Poorly soluble

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)
-3.43

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2

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