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CAS 17015-15-5 AC-GLU-OME molecular structure lightbox
CAS RN: 17015-15-5

AC-GLU-OME

  • Product code: SSC-074756
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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 17015-15-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

17015-15-5 / (4S)-4-acetamido-5-methoxy-5-oxopentanoic acid

Standard CAS: 17015-15-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
17015-15-5
Multi CAS
No
Molecular Formula
C8H13NO5
Molecular Weight
203.190000
Exact Mass
203.079373
SMILES
CC(=O)N[C@@H](CCC(=O)O)C(=O)OC
InChI
InChI=1S/C8H13NO5/c1-5(10)9-6(8(13)14-2)3-4-7(11)12/h6H,3-4H2,1-2H3,(H,9,10)(H,11,12)/t6-/m0/s1
InChIKey
XDCCXFLKDREFMO-LURJTMIESA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Fraction Csp3
0.62
Rotatable bonds
5
H-bond acceptors
4
H-bond donors
2
Molar refractivity
46.49
TPSA
92.7

LogP / Solubility

WLOGP
-0.47
MLOGP
-0.41
XLogP3
-1.2
Consensus LogP
-0.69
Log S (ESOL)
-0.47
Class (ESOL)
Very soluble
Log S (Ali)
-0.89
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-1.19
Class (SILICOS-IT)
Soluble

ADME

GI absorption
Low
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)
-4.29

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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