CAS RN: 1699190-56-1
4-Chloro-2-cyclopropyl-7-fluoroquinazoline
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.20260330 | 100mg / 250mg / 1g / 5g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1699190-56-1
- Purity/Analytical Methods: >99.0%
1699190-56-1 / 4-chloro-2-cyclopropyl-7-fluoroquinazoline
Basic Information
CAS
1699190-56-1
Multi CAS
No
Molecular Formula
C11H8ClFN2
Molecular Weight
222.640000
Exact Mass
222.036004
SMILES
C1CC1C2=NC3=C(C=CC(=C3)F)C(=N2)Cl
InChI
InChI=1S/C11H8ClFN2/c12-10-8-4-3-7(13)5-9(8)14-11(15-10)6-1-2-6/h3-6H,1-2H2
InChIKey
AZIMXGTTWJLAIM-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
10
Fraction Csp3
0.27
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
56.48
TPSA
25.78
LogP / Solubility
WLOGP
3.3
MLOGP
2.91
XLogP3
3.2
Consensus LogP
3.14
Log S (ESOL)
-3.73
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.77
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.97
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)
-1.74
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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