[email protected]
CAS 838-57-3 Ethyl (4-Nitrobenzoyl)acetate molecular structure lightbox
CAS RN: 838-57-3

Ethyl (4-Nitrobenzoyl)acetate

Product Availability

Choose a grade to view its available package options.

1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20251007 1g / 5g / 25g Confirm by inquiry Shanghai, Shandong 8-10 business days Inquiry
  • Product code: SSC-191503
GET A QUOTE
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: 25g
  • Available purity: ≥97%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
Request Bulk Quote

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 838-57-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ≥97% 0 Out of Stock Beijing Inquiry

838-57-3 / ethyl 3-(4-nitrophenyl)-3-oxopropanoate

Standard CAS: 838-57-3 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
838-57-3
Multi CAS
Yes
Molecular Formula
C11H11NO5
Molecular Weight
237.210000
Exact Mass
237.063722
InChI
InChI=1S/C11H11NO5/c1-2-17-11(14)7-10(13)8-3-5-9(6-4-8)12(15)16/h3-6H,2,7H2,1H3
InChIKey
NGRXSVFCLHVGKU-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.27
Rotatable bonds
5
H-bond acceptors
5
Molar refractivity
58.68
TPSA
86.51

LogP / Solubility

WLOGP
1.73
MLOGP
1.53
XLogP3
1.7
Consensus LogP
1.65
Log S (ESOL)
-2.33
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.75
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.24
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
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)
-2.94

Drug-likeness / Medicinal Chemistry

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

Customers Also Viewed

Get In Touch

Contact Us