CAS RN: 5958-05-4
6-Chloro-4-phenylquinazolin-2-carboxaldehyde
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260308 | 100mg / 250mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS5958-05-4
- Purity/Analytical Methods: >99.0%
5958-05-4 / 6-chloro-4-phenylquinazoline-2-carbaldehyde
Basic Information
CAS
5958-05-4
Multi CAS
Yes
Molecular Formula
C15H9CLN2O
Molecular Weight
268.700000
Exact Mass
268.040341
InChI
InChI=1S/C15H9ClN2O/c16-11-6-7-13-12(8-11)15(18-14(9-19)17-13)10-4-2-1-3-5-10/h1-9H
InChIKey
WZOTYGIIBJPOSP-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Aromatic heavy atom count
16
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
75.37
TPSA
42.85
LogP / Solubility
WLOGP
3.76
MLOGP
3.32
XLogP3
3.7
Consensus LogP
3.59
Log S (ESOL)
-4.37
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.48
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.77
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.69
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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- CAS RN: 5959-18-2
- Product Code: starshine_CAS5959-18-2
- Purity/Analytical method: >99.0%
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