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CAS 65749-39-5 potassium (R)-[(3-ethoxy-1-methyl-3-oxopropylidene)amino]phenylacetate molecular structure lightbox
CAS RN: 65749-39-5

potassium (R)-[(3-ethoxy-1-methyl-3-oxopropylidene)amino]phenylacetate

  • Product code: SSC-175397
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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 65749-39-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

65749-39-5 / potassium (2R)-2-[(4-ethoxy-4-oxobutan-2-ylidene)amino]-2-phenylacetate

Standard CAS: 65749-39-5 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
65749-39-5
Multi CAS
Yes
Molecular Formula
C14H16KNO4
Molecular Weight
301.380000
Exact Mass
301.071639
InChI
InChI=1S/C14H17NO4.K/c1-3-19-12(16)9-10(2)15-13(14(17)18)11-7-5-4-6-8-11;/h4-8,13H,3,9H2,1-2H3,(H,17,18);/q;+1/p-1
InChIKey
NNTAWXTYOPKLIR-UHFFFAOYSA-M

Computed Properties

Structural Parameters

Heavy atom count
20
Aromatic heavy atom count
6
Fraction Csp3
0.36
Rotatable bonds
6
H-bond acceptors
5
Molar refractivity
68.55
TPSA
78.79

LogP / Solubility

WLOGP
-2.1
MLOGP
-1.84
XLogP3
-2.1
Consensus LogP
-2.01
Log S (ESOL)
-0.21
Class (ESOL)
Very soluble
Log S (Ali)
-0.51
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.59
Class (SILICOS-IT)
Very 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)
-6.05

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2

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