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CAS 438221-55-7 5-(4-NITROPHENOXYMETHYL)FURAN-2-CARBALDEHYDE molecular structure lightbox
CAS RN: 438221-55-7

5-(4-NITROPHENOXYMETHYL)FURAN-2-CARBALDEHYDE

  • Product code: SSC-151898
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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: 0.25g
  • 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 438221-55-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ＞95% 0 Out of Stock Shenzhen Inquiry

438221-55-7 / 5-[(4-nitrophenoxy)methyl]furan-2-carbaldehyde

Standard CAS: 438221-55-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
438221-55-7
Multi CAS
No
Molecular Formula
C12H9NO5
Molecular Weight
247.200000
Exact Mass
247.048072
InChI
InChI=1S/C12H9NO5/c14-7-11-5-6-12(18-11)8-17-10-3-1-9(2-4-10)13(15)16/h1-7H,8H2
InChIKey
MFAGBUACEBDADX-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
11
Fraction Csp3
0.08
Rotatable bonds
5
H-bond acceptors
5
Molar refractivity
61.52
TPSA
82.58

LogP / Solubility

WLOGP
2.58
MLOGP
2.28
XLogP3
2.1
Consensus LogP
2.32
Log S (ESOL)
-3.12
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.45
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.01
Class (SILICOS-IT)
Slightly 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)
-2.4

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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