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CAS 179688-26-7 Ethyl 4,5-bis(2-methoxyethoxy)-2-nitrobenzoate molecular structure lightbox
CAS RN: 179688-26-7

Ethyl 4,5-bis(2-methoxyethoxy)-2-nitrobenzoate

Product Availability

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2 package records1 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20260526 1g In stock Inquiry
Batchno.20251205 5g Out of stock Inquiry
  • Product code: SSC-080062
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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 179688-26-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Shanghai Inquiry

179688-26-7 / ethyl 4,5-bis(2-methoxyethoxy)-2-nitrobenzoate

Standard CAS: 179688-26-7 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
179688-26-7
Multi CAS
No
Molecular Formula
C15H21NO8
Molecular Weight
343.330000
Exact Mass
343.126717
SMILES
CCOC(=O)C1=CC(=C(C=C1[N+](=O)[O-])OCCOC)OCCOC
InChI
InChI=1S/C15H21NO8/c1-4-22-15(17)11-9-13(23-7-5-20-2)14(24-8-6-21-3)10-12(11)16(18)19/h9-10H,4-8H2,1-3H3
InChIKey
VOHOFZNVWZWVMA-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
24
Aromatic heavy atom count
6
Fraction Csp3
0.53
Rotatable bonds
11
H-bond acceptors
8
Molar refractivity
83.79
TPSA
106.36

LogP / Solubility

WLOGP
1.82
MLOGP
1.62
XLogP3
1.6
Consensus LogP
1.68
Log S (ESOL)
-2.58
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.69
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.72
Class (SILICOS-IT)
Slightly 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)
-3.52

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
No
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5

Safety & Transport

GHS Hazard Statements
Not Classified Reported as not meeting GHS hazard criteria by 1 of 1 companies. For more detailed information, please visit ECHA C&L website.

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