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CAS 676494-56-7 3-FLUORO-4-(4-FORMYLPHENOXY)BENZAMIDE molecular structure lightbox
CAS RN: 676494-56-7

3-FLUORO-4-(4-FORMYLPHENOXY)BENZAMIDE

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250119 100mg / 250mg / 1g Out of stock 15 business days Inquiry
  • Product code: SSC-177388
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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: 1g
  • 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 676494-56-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

676494-56-7 / 3-fluoro-4-(4-formylphenoxy)benzamide

Standard CAS: 676494-56-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
676494-56-7
Multi CAS
No
Molecular Formula
C14FH10NO3
Molecular Weight
259.230000
Exact Mass
259.064471
InChI
InChI=1S/C14H10FNO3/c15-12-7-10(14(16)18)3-6-13(12)19-11-4-1-9(8-17)2-5-11/h1-8H,(H2,16,18)
InChIKey
NLRZKJKUWXRXFY-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
19
Aromatic heavy atom count
12
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
1
Molar refractivity
66.82
TPSA
69.39

LogP / Solubility

WLOGP
2.53
MLOGP
2.23
XLogP3
1.9
Consensus LogP
2.22
Log S (ESOL)
-3.24
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.51
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.92
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.51

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5

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