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CAS 81659-82-7 BOC-GLU(OSU)-OTBU molecular structure lightbox
CAS RN: 81659-82-7

BOC-GLU(OSU)-OTBU

  • Product code: SSC-190045
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 5g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 81659-82-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Hong Kong Inquiry

81659-82-7 / 1-O-tert-butyl 5-O-(2,5-dioxopyrrolidin-1-yl) 2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanedioate

Standard CAS: 81659-82-7 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
81659-82-7
Multi CAS
Yes
Molecular Formula
C18H28N2O8
Molecular Weight
400.400000
Exact Mass
400.184566
InChI
InChI=1S/C18H28N2O8/c1-17(2,3)26-15(24)11(19-16(25)27-18(4,5)6)7-10-14(23)28-20-12(21)8-9-13(20)22/h11H,7-10H2,1-6H3,(H,19,25)/t11-/m0/s1
InChIKey
ZZGDWIAZPUAPHR-NSHDSACASA-N

Computed Properties

Structural Parameters

Heavy atom count
28
Fraction Csp3
0.72
Rotatable bonds
6
H-bond acceptors
8
H-bond donors
1
Molar refractivity
95.42
TPSA
128.31

LogP / Solubility

WLOGP
1.61
MLOGP
1.44
XLogP3
1.2
Consensus LogP
1.42
Log S (ESOL)
-2.94
Class (ESOL)
Moderately soluble
Log S (Ali)
-4.01
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.32
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)
-4.02

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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