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CAS 733803-23-1 ethyl 4-(tert-butoxycarbonylamino)-5-methyl-3-oxohexanoate molecular structure lightbox
CAS RN: 733803-23-1

ethyl 4-(tert-butoxycarbonylamino)-5-methyl-3-oxohexanoate

  • Product code: SSC-182855
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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: 0.25g
  • 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 733803-23-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Beijing Inquiry

733803-23-1 / ethyl 5-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxohexanoate

Standard CAS: 733803-23-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
733803-23-1
Multi CAS
No
Molecular Formula
C14H25NO5
Molecular Weight
287.350000
Exact Mass
287.173273
InChI
InChI=1S/C14H25NO5/c1-7-19-11(17)8-10(16)12(9(2)3)15-13(18)20-14(4,5)6/h9,12H,7-8H2,1-6H3,(H,15,18)
InChIKey
VWRIEHSFZCLGIB-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
20
Fraction Csp3
0.79
Rotatable bonds
6
H-bond acceptors
5
H-bond donors
1
Molar refractivity
74.25
TPSA
81.7

LogP / Solubility

WLOGP
2.06
MLOGP
1.82
XLogP3
2.4
Consensus LogP
2.09
Log S (ESOL)
-2.52
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.4
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.96
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)
-3.01

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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