CAS RN: 1039736-73-6
2,4-dichloro-7-fluoro-8-methylquinazoline
Product Availability
Choose a grade to view its available package options.
5 package records4 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250120 | 100mg | In stock | Shanghai | Inquiry | |
| Batchno.20250327 | 100mg / 250mg / 1g / 5g | Out of stock | 8-10 business days | Inquiry | |
| Batchno.20250411 | 1g | In stock | Shanghai | Inquiry | |
| Batchno.20250915 | 250mg | In stock | Shanghai | Inquiry | |
| Batchno.20260526 | 5g | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS1039736-73-6
- Purity/Analytical Methods: >99.0%
1039736-73-6 / 2,4-dichloro-7-fluoro-8-methylquinazoline
2,4-dichloro-7-fluoro-8-methylquinazoline | C9H5Cl2FN2 | MFCD27997107
Basic Information
CAS
1039736-73-6
Multi CAS
No
Molecular Formula
C9H5Cl2FN2
Molecular Weight
231.050000
Exact Mass
229.981382
SMILES
CC1=C(C=CC2=C1N=C(N=C2Cl)Cl)F
InChI
InChI=1S/C9H5Cl2FN2/c1-4-6(12)3-2-5-7(4)13-9(11)14-8(5)10/h2-3H,1H3
InChIKey
CHQBEAJNSPBLHL-UHFFFAOYSA-N
Synonyms
2,4-dichloro-7-fluoro-8-methylquinazoline
C9H5Cl2FN2
MFCD27997107
SCHEMBL2919013
BS-53051
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
10
Fraction Csp3
0.11
H-bond acceptors
2
Molar refractivity
54.25
TPSA
25.78
LogP / Solubility
WLOGP
3.38
MLOGP
2.98
XLogP3
3.9
Consensus LogP
3.42
Log S (ESOL)
-3.93
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.9
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)
-1.73
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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