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CAS 2420-13-5 BOC-GLU ANHYDRIDE molecular structure lightbox
CAS RN: 2420-13-5

BOC-GLU ANHYDRIDE

  • Product code: SSC-118230
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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: 1g
  • 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 2420-13-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

2420-13-5 / tert-butyl N-(2,6-dioxooxan-3-yl)carbamate

Standard CAS: 2420-13-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2420-13-5
Multi CAS
No
Molecular Formula
C10H15NO5
Molecular Weight
229.230000
Exact Mass
229.095023
SMILES
CC(C)(C)OC(=O)NC1CCC(=O)OC1=O
InChI
InChI=1S/C10H15NO5/c1-10(2,3)16-9(14)11-6-4-5-7(12)15-8(6)13/h6H,4-5H2,1-3H3,(H,11,14)
InChIKey
XPWLCDJCIMBIBS-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Fraction Csp3
0.7
Rotatable bonds
1
H-bond acceptors
5
H-bond donors
1
Molar refractivity
53.49
TPSA
81.7

LogP / Solubility

WLOGP
0.74
MLOGP
0.66
XLogP3
0.7
Consensus LogP
0.7
Log S (ESOL)
-1.66
Class (ESOL)
Soluble
Log S (Ali)
-1.98
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.89
Class (SILICOS-IT)
Soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.59

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2

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