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CAS 1062238-49-6 N-Boc-beta-D-HoMoser-OMe molecular structure lightbox
CAS RN: 1062238-49-6

N-Boc-beta-D-HoMoser-OMe

  • Product code: SSC-007987
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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, 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 1062238-49-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Shanghai Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

1062238-49-6 / methyl (3R)-4-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate

N-Boc-beta-D-HoMoser-OMe | methyl (R)-3-((tert-butoxycarbonyl)amino)-4-hydroxybutanoate | Methyl (R)-3-(Boc-amino)-4-hydroxybutanoate

Standard CAS: 1062238-49-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1062238-49-6
Multi CAS
Yes
Molecular Formula
C10H19NO5
Molecular Weight
233.260000
Exact Mass
233.126323
SMILES
CC(C)(C)OC(=O)N[C@H](CC(=O)OC)CO
InChI
InChI=1S/C10H19NO5/c1-10(2,3)16-9(14)11-7(6-12)5-8(13)15-4/h7,12H,5-6H2,1-4H3,(H,11,14)/t7-/m1/s1
InChIKey
ZZDVXWXHEXVLNH-SSDOTTSWSA-N
Synonyms
N-Boc-beta-D-HoMoser-OMe methyl (R)-3-((tert-butoxycarbonyl)amino)-4-hydroxybutanoate Methyl (R)-3-(Boc-amino)-4-hydroxybutanoate MFCD28132382 methyl (3R)-3-{[(tert-butoxy)carbonyl]amino}-4-hydroxybutanoate

Computed Properties

Structural Parameters

Heavy atom count
16
Fraction Csp3
0.8
Rotatable bonds
4
H-bond acceptors
5
H-bond donors
2
Molar refractivity
56.88
TPSA
84.86

LogP / Solubility

WLOGP
0.44
MLOGP
0.39
XLogP3
0.1
Consensus LogP
0.31
Log S (ESOL)
-1.3
Class (ESOL)
Soluble
Log S (Ali)
-1.79
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.02
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)
-3.83

Drug-likeness / Medicinal Chemistry

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

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