CAS RN: 953039-14-0
6-Bromo-2-chloro-8-methoxyquinazoline
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.20260223 | 100mg | In stock | Shanghai, Tianjin, Chengdu | Inquiry | |
| Batchno.20260505 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry | |
| Batchno.20250224 | 1g | In stock | Shanghai, Tianjin, Wuhan | Inquiry | |
| Batchno.20260418 | 250mg | In stock | Shanghai, Tianjin | Inquiry | |
| Batchno.20260110 | 5g | In stock | Tianjin | Inquiry |
953039-14-0 / 6-bromo-2-chloro-8-methoxyquinazoline
6-bromo-2-chloro-8-methoxyquinazoline | 6-Bromo-2-chloro-8-methoxy-quinazoline | MFCD09907930
Basic Information
CAS
953039-14-0
Multi CAS
Yes
Molecular Formula
C9H6BRCLN2O
Molecular Weight
273.510000
Exact Mass
271.935200
SMILES
COC1=CC(=CC2=CN=C(N=C12)Cl)Br
InChI
InChI=1S/C9H6BrClN2O/c1-14-7-3-6(10)2-5-4-12-9(11)13-8(5)7/h2-4H,1H3
InChIKey
AJDRLOKFLWCFAY-UHFFFAOYSA-N
Synonyms
6-bromo-2-chloro-8-methoxyquinazoline
6-Bromo-2-chloro-8-methoxy-quinazoline
MFCD09907930
SCHEMBL1319685
DTXSID00674301
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
10
Fraction Csp3
0.11
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
58.8
TPSA
35.01
LogP / Solubility
WLOGP
3.05
MLOGP
2.7
XLogP3
3.2
Consensus LogP
2.98
Log S (ESOL)
-3.92
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.01
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.09
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)
-2.22
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5
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