CAS RN: 1007308-75-9
2,4-dichloro-7-fluoro-6-nitroquinazoline
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.20250424 | 100mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1007308-75-9
- Purity/Analytical Methods: >99.0%
1007308-75-9 / 2,4-dichloro-7-fluoro-6-nitroquinazoline
2,4-Dichloro-7-fluoro-6-nitroquinazoline | MFCD11858255 | Quinazoline, 2,4-dichloro-7-fluoro-6-nitro-
Basic Information
CAS
1007308-75-9
Multi CAS
No
Molecular Formula
C8H2Cl2FN3O2
Molecular Weight
262.020000
Exact Mass
260.950810
SMILES
C1=C2C(=CC(=C1[N+](=O)[O-])F)N=C(N=C2Cl)Cl
InChI
InChI=1S/C8H2Cl2FN3O2/c9-7-3-1-6(14(15)16)4(11)2-5(3)12-8(10)13-7/h1-2H
InChIKey
RUKOBTYGLGOONI-UHFFFAOYSA-N
Synonyms
2,4-Dichloro-7-fluoro-6-nitroquinazoline
MFCD11858255
Quinazoline, 2,4-dichloro-7-fluoro-6-nitro-
2,4-Dichloro-7-fluoro-6-nitro-quinazoline
C8H2Cl2FN3O2
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
10
Rotatable bonds
1
H-bond acceptors
4
Molar refractivity
56.17
TPSA
68.92
LogP / Solubility
WLOGP
2.98
MLOGP
2.63
XLogP3
3.4
Consensus LogP
3
Log S (ESOL)
-3.74
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.86
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.96
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)
-2.2
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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