CAS RN: 778639-39-7
2-Chloro-6-ethoxyquinazoline
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.20250331 | 250mg | Out of stock | 5-7 business days | Inquiry |
- Product code: LINC901925
778639-39-7 / 2-chloro-6-ethoxyquinazoline
Basic Information
CAS
778639-39-7
Multi CAS
No
Molecular Formula
C10H9CLN2O
Molecular Weight
208.640000
Exact Mass
208.040341
InChI
InChI=1S/C10H9ClN2O/c1-2-14-8-3-4-9-7(5-8)6-12-10(11)13-9/h3-6H,2H2,1H3
InChIKey
IXCCMGZAKMKNIQ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
10
Fraction Csp3
0.2
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
55.72
TPSA
35.01
LogP / Solubility
WLOGP
2.68
MLOGP
2.36
XLogP3
2.8
Consensus LogP
2.61
Log S (ESOL)
-3.22
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.21
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.48
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.09
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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