CAS RN: 1698027-88-1
Quinazoline, 7-bromo-4-chloro-6,8-difluoro-
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.20250530 | 100mg / 250mg / 500mg | Out of stock | 1 business days | Inquiry |
- Product code: starshine_CAS1698027-88-1
- Purity/Analytical Methods: >99.0%
1698027-88-1 / 7-bromo-4-chloro-6,8-difluoroquinazoline
Basic Information
CAS
1698027-88-1
Multi CAS
No
Molecular Formula
C8H2BrClF2N2
Molecular Weight
279.470000
Exact Mass
277.905790
SMILES
C1=C2C(=C(C(=C1F)Br)F)N=CN=C2Cl
InChI
InChI=1S/C8H2BrClF2N2/c9-5-4(11)1-3-7(6(5)12)13-2-14-8(3)10/h1-2H
InChIKey
KCEFWGGRRSZUIP-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
10
H-bond acceptors
2
Molar refractivity
52.16
TPSA
25.78
LogP / Solubility
WLOGP
3.32
MLOGP
2.93
XLogP3
3.4
Consensus LogP
3.22
Log S (ESOL)
-4.2
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.25
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.24
Class (SILICOS-IT)
Slightly 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)
-2.06
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5
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