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CAS 196603-96-0 4-(4-Bromo-2-fluoroanilino)-7-hydroxy-6-methoxyquinazoline molecular structure lightbox
CAS RN: 196603-96-0

4-(4-Bromo-2-fluoroanilino)-7-hydroxy-6-methoxyquinazoline

Product Availability

Choose a grade to view its available package options.

3 package records2 with current stock3 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20251117 250mg / 1g / 5g Confirm by inquiry Shanghai 5-7 business days Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260123 250mg Out of stock 8-10 business days Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260602 250mg / 1g / 5g Confirm by inquiry Shanghai 8-10 business days Inquiry
  • Product code: SSC-092830
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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 196603-96-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞95% 0 Out of Stock Hong Kong Inquiry

196603-96-0 / 4-(4-bromo-2-fluoroanilino)-6-methoxyquinazolin-7-ol

Standard CAS: 196603-96-0 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
196603-96-0
Multi CAS
No
Molecular Formula
C15H11BrFN3O2
Molecular Weight
364.170000
Exact Mass
363.001870
SMILES
COC1=C(C=C2C(=C1)C(=NC=N2)NC3=C(C=C(C=C3)Br)F)O
InChI
InChI=1S/C15H11BrFN3O2/c1-22-14-5-9-12(6-13(14)21)18-7-19-15(9)20-11-3-2-8(16)4-10(11)17/h2-7,21H,1H3,(H,18,19,20)
InChIKey
XIHOMGRMQWNHHB-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
22
Aromatic heavy atom count
16
Fraction Csp3
0.07
Rotatable bonds
3
H-bond acceptors
5
H-bond donors
2
Molar refractivity
85.14
TPSA
67.27

LogP / Solubility

WLOGP
3.99
MLOGP
3.53
XLogP3
3.8
Consensus LogP
3.77
Log S (ESOL)
-4.95
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.43
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.7
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.11

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Corrosive
Signal
Danger
GHS Hazard Statements
H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]
Precautionary Statement Codes
P264+P265, P280, P305+P354+P338, and P317

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