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CAS 586412-86-4 2-Fluoro-4-methoxy-5-nitro-benzaldehyde molecular structure lightbox
CAS RN: 586412-86-4

2-Fluoro-4-methoxy-5-nitro-benzaldehyde

  • Product code: SSC-166959
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 0.1g, 0.25g, 5g, 1g
  • Available purity: >95%
  • Inventory rows with stock: 4
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 586412-86-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >95% 2 In Stock Shenzhen Inquiry
0.25g >95% 2 In Stock Beijing Inquiry
5g >95% 2 In Stock Shenzhen Inquiry
1g >95% 1 In Stock Shanghai Inquiry

586412-86-4 / 2-fluoro-4-methoxy-5-nitrobenzaldehyde

Standard CAS: 586412-86-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
586412-86-4
Multi CAS
No
Molecular Formula
C8FH6NO4
Molecular Weight
199.140000
Exact Mass
199.028086
InChI
InChI=1S/C8H6FNO4/c1-14-8-3-6(9)5(4-11)2-7(8)10(12)13/h2-4H,1H3
InChIKey
VBSYSLUOPPFQMO-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.12
Rotatable bonds
3
H-bond acceptors
4
Molar refractivity
44.99
TPSA
69.44

LogP / Solubility

WLOGP
1.55
MLOGP
1.37
XLogP3
1.3
Consensus LogP
1.41
Log S (ESOL)
-2.17
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.32
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.61
Class (SILICOS-IT)
Moderately 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)
-2.83

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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