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CAS 479690-03-4 4-(2-fluoro-4-nitrophenoxy)-6-methoxy-7-phenylmethoxyquinoline molecular structure lightbox
CAS RN: 479690-03-4

4-(2-fluoro-4-nitrophenoxy)-6-methoxy-7-phenylmethoxyquinoline

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250930 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: SSC-154947
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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 479690-03-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

479690-03-4 / 4-(2-fluoro-4-nitrophenoxy)-6-methoxy-7-phenylmethoxyquinoline

Standard CAS: 479690-03-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
479690-03-4
Multi CAS
No
Molecular Formula
C23FH17N2O5
Molecular Weight
420.400000
Exact Mass
420.112150
InChI
InChI=1S/C23H17FN2O5/c1-29-22-12-17-19(13-23(22)30-14-15-5-3-2-4-6-15)25-10-9-20(17)31-21-8-7-16(26(27)28)11-18(21)24/h2-13H,14H2,1H3
InChIKey
ZCQHXCZWPBJLKD-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
31
Aromatic heavy atom count
22
Fraction Csp3
0.09
Rotatable bonds
7
H-bond acceptors
6
Molar refractivity
112.2
TPSA
83.72

LogP / Solubility

WLOGP
5.66
MLOGP
5.01
XLogP3
5.1
Consensus LogP
5.26
Log S (ESOL)
-6.08
Class (ESOL)
Insoluble
Log S (Ali)
-7.1
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.93
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.26

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
3

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