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CAS 1457-85-8 ETHYL OXANILATE molecular structure lightbox
CAS RN: 1457-85-8

ETHYL OXANILATE

  • Product code: SSC-056964
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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: ＞97%
  • 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 1457-85-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Shenzhen Inquiry

1457-85-8 / ethyl 2-anilino-2-oxoacetate

Standard CAS: 1457-85-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1457-85-8
Multi CAS
No
Molecular Formula
C10H11NO3
Molecular Weight
193.200000
Exact Mass
193.073893
SMILES
CCOC(=O)C(=O)NC1=CC=CC=C1
InChI
InChI=1S/C10H11NO3/c1-2-14-10(13)9(12)11-8-6-4-3-5-7-8/h3-7H,2H2,1H3,(H,11,12)
InChIKey
YDGAUBHNAKCSKF-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.2
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
51.7
TPSA
55.4

LogP / Solubility

WLOGP
1.19
MLOGP
1.04
XLogP3
1.5
Consensus LogP
1.24
Log S (ESOL)
-1.97
Class (ESOL)
Soluble
Log S (Ali)
-2
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.14
Class (SILICOS-IT)
Moderately 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)
-3.05

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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