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CAS 1315372-63-4 4-(7-Fluoro-quinolin-4-ylamino)-benzoic acid molecular structure lightbox
CAS RN: 1315372-63-4

4-(7-Fluoro-quinolin-4-ylamino)-benzoic acid

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250304 100mg / 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: SSC-038702
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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 1315372-63-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

1315372-63-4 / 4-[(7-fluoroquinolin-4-yl)amino]benzoic acid

Standard CAS: 1315372-63-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1315372-63-4
Multi CAS
No
Molecular Formula
C16H11FN2O2
Molecular Weight
282.270000
Exact Mass
282.080456
SMILES
C1=CC(=CC=C1C(=O)O)NC2=C3C=CC(=CC3=NC=C2)F
InChI
InChI=1S/C16H11FN2O2/c17-11-3-6-13-14(7-8-18-15(13)9-11)19-12-4-1-10(2-5-12)16(20)21/h1-9H,(H,18,19)(H,20,21)
InChIKey
QJIJAMGPDVSBIJ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
21
Aromatic heavy atom count
16
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
2
Molar refractivity
78.39
TPSA
62.22

LogP / Solubility

WLOGP
3.82
MLOGP
3.37
XLogP3
3.4
Consensus LogP
3.53
Log S (ESOL)
-4.36
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.63
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.02
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.73

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5

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