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CAS 36360-62-0 Z-NLE-OSU molecular structure lightbox
CAS RN: 36360-62-0

Z-NLE-OSU

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251114 100mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS36360-62-0
  • Purity/Analytical Methods: >99.0%
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36360-62-0 / (2,5-dioxopyrrolidin-1-yl) (2S)-4-methyl-2-(phenylmethoxycarbonylamino)pentanoate

Standard CAS: 36360-62-0 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
36360-62-0
Multi CAS
Yes
Molecular Formula
C18H22N2O6
Molecular Weight
362.400000
Exact Mass
362.147786
InChI
InChI=1S/C18H22N2O6/c1-2-3-9-14(17(23)26-20-15(21)10-11-16(20)22)19-18(24)25-12-13-7-5-4-6-8-13/h4-8,14H,2-3,9-12H2,1H3,(H,19,24)/t14-/m0/s1
InChIKey
ZAKAALIYVFELQV-AWEZNQCLSA-N

Computed Properties

Structural Parameters

Heavy atom count
26
Aromatic heavy atom count
6
Fraction Csp3
0.44
Rotatable bonds
7
H-bond acceptors
6
H-bond donors
1
Molar refractivity
90.18
TPSA
102.01

LogP / Solubility

WLOGP
1.93
MLOGP
1.72
XLogP3
2.2
Consensus LogP
1.95
Log S (ESOL)
-3.01
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.93
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.46
Class (SILICOS-IT)
Slightly 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)
-3.56

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

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