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CAS 231278-20-9 4-[3-Chloro-4-(3-fluorobenzyloxy)phenylamino]-6-iodoquinazoline molecular structure lightbox
CAS RN: 231278-20-9

4-[3-Chloro-4-(3-fluorobenzyloxy)phenylamino]-6-iodoquinazoline

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260302 1g / 5g Confirm by inquiry Shandong Inquiry
  • Product code: SSC-112617
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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: 25g
  • Available purity: ≥97%
  • 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 231278-20-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ≥97% 0 Out of Stock Shanghai Inquiry

231278-20-9 / N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-iodoquinazolin-4-amine

Standard CAS: 231278-20-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
231278-20-9
Multi CAS
No
Molecular Formula
C21H14ClFIN3O
Molecular Weight
505.700000
Exact Mass
504.985420
SMILES
C1=CC(=CC(=C1)F)COC2=C(C=C(C=C2)NC3=NC=NC4=C3C=C(C=C4)I)Cl
InChI
InChI=1S/C21H14ClFIN3O/c22-18-10-16(5-7-20(18)28-11-13-2-1-3-14(23)8-13)27-21-17-9-15(24)4-6-19(17)25-12-26-21/h1-10,12H,11H2,(H,25,26,27)
InChIKey
UHFPFDMMKYQMLC-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
28
Aromatic heavy atom count
22
Fraction Csp3
0.05
Rotatable bonds
5
H-bond acceptors
4
H-bond donors
1
Molar refractivity
117.72
TPSA
47.04

LogP / Solubility

WLOGP
6.35
MLOGP
5.62
XLogP3
6.3
Consensus LogP
6.09
Log S (ESOL)
-7.23
Class (ESOL)
Insoluble
Log S (Ali)
-8.29
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.82
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.3

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3

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