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CAS 415943-88-3 5-(4-METHOXY-2-NITROPHENYL)-2-FURALDEHYDE molecular structure lightbox
CAS RN: 415943-88-3

5-(4-METHOXY-2-NITROPHENYL)-2-FURALDEHYDE

  • Product code: SSC-149992
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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 415943-88-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Shanghai Inquiry

415943-88-3 / 5-(4-methoxy-2-nitrophenyl)furan-2-carbaldehyde

Standard CAS: 415943-88-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
415943-88-3
Multi CAS
No
Molecular Formula
C12H9NO5
Molecular Weight
247.200000
Exact Mass
247.048072
InChI
InChI=1S/C12H9NO5/c1-17-8-2-4-10(11(6-8)13(15)16)12-5-3-9(7-14)18-12/h2-7H,1H3
InChIKey
KJPUSAJELIKPIW-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
11
Fraction Csp3
0.08
Rotatable bonds
4
H-bond acceptors
5
Molar refractivity
62.74
TPSA
82.58

LogP / Solubility

WLOGP
2.68
MLOGP
2.36
XLogP3
2.2
Consensus LogP
2.41
Log S (ESOL)
-3.25
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.52
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.97
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.33

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

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