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CAS 1435806-78-2 5-Fluoro-2-Methoxy-4-nitroaniline molecular structure lightbox
CAS RN: 1435806-78-2

5-Fluoro-2-Methoxy-4-nitroaniline

Product Availability

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4 package records4 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20260109 100mg In stock Inquiry
Batchno.20260411 1g In stock Inquiry
Batchno.20250429 250mg In stock Inquiry
Batchno.20260413 5g In stock Inquiry
  • Product code: SSC-054977
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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 1435806-78-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Beijing Inquiry

1435806-78-2 / 5-fluoro-2-methoxy-4-nitroaniline

Standard CAS: 1435806-78-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1435806-78-2
Multi CAS
No
Molecular Formula
C7H7FN2O3
Molecular Weight
186.140000
Exact Mass
186.044070
SMILES
COC1=CC(=C(C=C1N)F)[N+](=O)[O-]
InChI
InChI=1S/C7H7FN2O3/c1-13-7-3-6(10(11)12)4(8)2-5(7)9/h2-3H,9H2,1H3
InChIKey
ZMQFEOYUITZEMG-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.14
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
1
Molar refractivity
44.02
TPSA
78.39

LogP / Solubility

WLOGP
1.32
MLOGP
1.16
XLogP3
1.1
Consensus LogP
1.19
Log S (ESOL)
-2.04
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.04
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.21
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)
-2.91

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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