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CAS 143966-57-8 N-T-BOC-L-SERINE ALLYL ESTER molecular structure lightbox
CAS RN: 143966-57-8

N-T-BOC-L-SERINE ALLYL ESTER

  • Product code: SSC-055212
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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 143966-57-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

143966-57-8 / prop-2-enyl (2S)-3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate

Standard CAS: 143966-57-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
143966-57-8
Multi CAS
No
Molecular Formula
C11H19NO5
Molecular Weight
245.270000
Exact Mass
245.126323
SMILES
CC(C)(C)OC(=O)N[C@@H](CO)C(=O)OCC=C
InChI
InChI=1S/C11H19NO5/c1-5-6-16-9(14)8(7-13)12-10(15)17-11(2,3)4/h5,8,13H,1,6-7H2,2-4H3,(H,12,15)/t8-/m0/s1
InChIKey
UXCJZSOZYIDKFL-QMMMGPOBSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Fraction Csp3
0.64
Rotatable bonds
5
H-bond acceptors
5
H-bond donors
2
Molar refractivity
61.4
TPSA
84.86

LogP / Solubility

WLOGP
0.6
MLOGP
0.53
XLogP3
0.8
Consensus LogP
0.64
Log S (ESOL)
-1.41
Class (ESOL)
Soluble
Log S (Ali)
-2.01
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.35
Class (SILICOS-IT)
Moderately 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)
-3.79

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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