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CAS 2832-16-8 Ethyl 4-Nitrobutanoate molecular structure lightbox
CAS RN: 2832-16-8

Ethyl 4-Nitrobutanoate

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250608 1g / 5g / 25g / 100g Confirm by inquiry Shanghai 8-10 business days Inquiry
  • Product code: SSC-129402
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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 2832-16-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Shanghai Inquiry

2832-16-8 / ethyl 4-nitrobutanoate

Standard CAS: 2832-16-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2832-16-8
Multi CAS
No
Molecular Formula
C6H11NO4
Molecular Weight
161.160000
Exact Mass
161.068808
InChI
InChI=1S/C6H11NO4/c1-2-11-6(8)4-3-5-7(9)10/h2-5H2,1H3
InChIKey
JDCIBQNRJNANBE-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Fraction Csp3
0.83
Rotatable bonds
5
H-bond acceptors
4
Molar refractivity
37.73
TPSA
69.44

LogP / Solubility

WLOGP
0.61
MLOGP
0.53
XLogP3
0.6
Consensus LogP
0.58
Log S (ESOL)
-0.89
Class (ESOL)
Very soluble
Log S (Ali)
-1.32
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.81
Class (SILICOS-IT)
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)
-3.27

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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