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CAS 36360-61-9 BOC-NLE-OSU molecular structure lightbox
CAS RN: 36360-61-9

BOC-NLE-OSU

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Batchno.20250701 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS36360-61-9
  • Purity/Analytical Methods: >99.0%
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36360-61-9 / (2,5-dioxopyrrolidin-1-yl) 2-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoate

Standard CAS: 36360-61-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
36360-61-9
Multi CAS
Yes
Molecular Formula
C15H24N2O6
Molecular Weight
328.360000
Exact Mass
328.163436
InChI
InChI=1S/C15H24N2O6/c1-5-6-7-10(16-14(21)22-15(2,3)4)13(20)23-17-11(18)8-9-12(17)19/h10H,5-9H2,1-4H3,(H,16,21)/t10-/m0/s1
InChIKey
PNEJKEMEWVZHGX-JTQLQIEISA-N

Computed Properties

Structural Parameters

Heavy atom count
23
Fraction Csp3
0.73
Rotatable bonds
6
H-bond acceptors
6
H-bond donors
1
Molar refractivity
79.86
TPSA
102.01

LogP / Solubility

WLOGP
1.68
MLOGP
1.49
XLogP3
1.8
Consensus LogP
1.66
Log S (ESOL)
-2.54
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.46
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.91
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)
-3.53

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
3

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