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CAS 17083-26-0 H-SER(TBU)-OME HCL molecular structure lightbox
CAS RN: 17083-26-0

H-SER(TBU)-OME HCL

  • Product code: SSC-075236
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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 17083-26-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Beijing Inquiry

17083-26-0 / methyl (2S)-2-amino-3-[(2-methylpropan-2-yl)oxy]propanoate

Standard CAS: 17083-26-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
17083-26-0
Multi CAS
No
Molecular Formula
C8H17NO3
Molecular Weight
175.230000
Exact Mass
175.120843
SMILES
CC(C)(C)OC[C@@H](C(=O)OC)N
InChI
InChI=1S/C8H17NO3/c1-8(2,3)12-5-6(9)7(10)11-4/h6H,5,9H2,1-4H3/t6-/m0/s1
InChIKey
MMJPLCPGTJXFNH-LURJTMIESA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Fraction Csp3
0.88
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
1
Molar refractivity
45.7
TPSA
61.55

LogP / Solubility

WLOGP
0.3
MLOGP
0.26
XLogP3
0.1
Consensus LogP
0.22
Log S (ESOL)
-0.92
Class (ESOL)
Very soluble
Log S (Ali)
-1.21
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.41
Class (SILICOS-IT)
Soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.57

Drug-likeness / Medicinal Chemistry

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

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