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CAS 105544-30-7 5-Bromo-3-nitro-pyridin-2-yloxy)-acetic acid ethyl ester molecular structure lightbox
CAS RN: 105544-30-7

5-Bromo-3-nitro-pyridin-2-yloxy)-acetic acid ethyl ester

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260629 100mg / 250mg / 1g / 5g Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-007268
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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: 5g
  • 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 105544-30-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Hong Kong Inquiry

105544-30-7 / ethyl 2-[(5-bromo-3-nitro-2-pyridinyl)oxy]acetate

Ethyl 2-((5-bromo-3-nitropyridin-2-yl)oxy)acetate | MFCD01648643 | ethyl 2-(5-bromo-3-nitropyridin-2-yl)oxyacetate

Standard CAS: 105544-30-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
105544-30-7
Multi CAS
No
Molecular Formula
C9H9BrN2O5
Molecular Weight
305.080000
Exact Mass
303.969480
SMILES
CCOC(=O)COC1=C(C=C(C=N1)Br)[N+](=O)[O-]
InChI
InChI=1S/C9H9BrN2O5/c1-2-16-8(13)5-17-9-7(12(14)15)3-6(10)4-11-9/h3-4H,2,5H2,1H3
InChIKey
UHIILDDDMFTHKM-UHFFFAOYSA-N
Synonyms
Ethyl 2-((5-bromo-3-nitropyridin-2-yl)oxy)acetate MFCD01648643 ethyl 2-(5-bromo-3-nitropyridin-2-yl)oxyacetate C9H9BrN2O5 5-Bromo-3-nitro-pyridin-2-yloxy)-acetic acid ethyl ester

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
5
H-bond acceptors
6
Molar refractivity
60.72
TPSA
91.56

LogP / Solubility

WLOGP
1.69
MLOGP
1.5
XLogP3
2
Consensus LogP
1.73
Log S (ESOL)
-2.73
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.28
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.65
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)
-3.38

Drug-likeness / Medicinal Chemistry

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

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