![CAS 231278-84-5 5-[4-[3-Chloro-4-(3-fluorobenzyloxy)anilino]-6-quinazolinyl]furan-2-carboxaldehyde molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/c2786-jpgcontextbwfzdgvyfhjvb3r8nda5ntl8aw1hz2uvanblz3xomtqvagywlzg5mjk1nzk3nje2otqvqzi3odyuanbnfdgymgqwotk1nde0mzrjntfjmty3odgxmdiymdm1ngfkmmewnjq4yta5ogq2mjhknjbhywm5ztkxnjq5ztlkmju.jpeg)
CAS RN: 231278-84-5
5-[4-[3-Chloro-4-(3-fluorobenzyloxy)anilino]-6-quinazolinyl]furan-2-carboxaldehyde
Product Availability
Choose a grade to view its available package options.
5 package records5 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250302 | 250mg / 1g / 5g / 25g | Confirm by inquiry | Shanghai, Shandong | Inquiry |
- Product code: SSC-112618
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
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 25g | ≥97% | 0 Out of Stock | Hong Kong | Inquiry |
231278-84-5 / 5-[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]quinazolin-6-yl]furan-2-carbaldehyde
Basic Information
CAS
231278-84-5
Multi CAS
No
Molecular Formula
C26H17ClFN3O3
Molecular Weight
473.900000
Exact Mass
473.094247
SMILES
C1=CC(=CC(=C1)F)COC2=C(C=C(C=C2)NC3=NC=NC4=C3C=C(C=C4)C5=CC=C(O5)C=O)Cl
InChI
InChI=1S/C26H17ClFN3O3/c27-22-12-19(5-8-25(22)33-14-16-2-1-3-18(28)10-16)31-26-21-11-17(4-7-23(21)29-15-30-26)24-9-6-20(13-32)34-24/h1-13,15H,14H2,(H,29,30,31)
InChIKey
XQPZOUAAXRXPAM-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
34
Aromatic heavy atom count
27
Fraction Csp3
0.04
Rotatable bonds
7
H-bond acceptors
6
H-bond donors
1
Molar refractivity
128.09
TPSA
77.25
LogP / Solubility
WLOGP
6.82
MLOGP
6.03
XLogP3
6.1
Consensus LogP
6.32
Log S (ESOL)
-7.2
Class (ESOL)
Insoluble
Log S (Ali)
-8.37
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.24
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
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)
-0.77
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3.5
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