CAS RN: 1107695-08-8
7-bromo-2-chloroquinazolin-4-amine
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.20250218 | 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1107695-08-8
- Purity/Analytical Methods: >99.0%
1107695-08-8 / 7-bromo-2-chloroquinazolin-4-amine
7-bromo-2-chloroquinazolin-4-amine | DTXSID50653126 | RefChem:310388
Basic Information
CAS
1107695-08-8
Multi CAS
Yes
Molecular Formula
C8H5BrClN3
Molecular Weight
258.500000
Exact Mass
256.935540
SMILES
C1=CC2=C(C=C1Br)N=C(N=C2N)Cl
InChI
InChI=1S/C8H5BrClN3/c9-4-1-2-5-6(3-4)12-8(10)13-7(5)11/h1-3H,(H2,11,12,13)
InChIKey
RCPHEXPZUNHZNL-UHFFFAOYSA-N
Synonyms
7-bromo-2-chloroquinazolin-4-amine
DTXSID50653126
RefChem:310388
DTXCID80603876
959-537-2
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
10
H-bond acceptors
3
H-bond donors
1
Molar refractivity
56.66
TPSA
51.8
LogP / Solubility
WLOGP
2.63
MLOGP
2.32
XLogP3
3
Consensus LogP
2.65
Log S (ESOL)
-3.67
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.58
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.52
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.43
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5
Safety & Transport
Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
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