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CAS 94226-55-8 N,N-DIBENZYL GLYCINE METHYL ESTER molecular structure lightbox
CAS RN: 94226-55-8

N,N-DIBENZYL GLYCINE METHYL ESTER

  • Product code: SSC-208853
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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 94226-55-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

94226-55-8 / methyl 2-(dibenzylamino)acetate

Standard CAS: 94226-55-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
94226-55-8
Multi CAS
No
Molecular Formula
C17H19NO2
Molecular Weight
269.340000
Exact Mass
269.141579
InChI
InChI=1S/C17H19NO2/c1-20-17(19)14-18(12-15-8-4-2-5-9-15)13-16-10-6-3-7-11-16/h2-11H,12-14H2,1H3
InChIKey
LHIQQTZOSWEAKY-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
20
Aromatic heavy atom count
12
Fraction Csp3
0.24
Rotatable bonds
6
H-bond acceptors
3
Molar refractivity
79.01
TPSA
29.54

LogP / Solubility

WLOGP
2.86
MLOGP
2.53
XLogP3
3.2
Consensus LogP
2.86
Log S (ESOL)
-3.36
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.83
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.51
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.33

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5

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