CAS RN: 1150617-71-2
2,4-Dichloro-quinazoline-8-carbonitrile
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260527 | 100mg / 250mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1150617-71-2
- Purity/Analytical Methods: >99.0%
1150617-71-2 / 2,4-dichloroquinazoline-8-carbonitrile
2,4-dichloroquinazoline-8-carbonitrile | DTXSID40654021 | RefChem:246362
Basic Information
CAS
1150617-71-2
Multi CAS
No
Molecular Formula
C9H3Cl2N3
Molecular Weight
224.040000
Exact Mass
222.970403
SMILES
C1=CC(=C2C(=C1)C(=NC(=N2)Cl)Cl)C#N
InChI
InChI=1S/C9H3Cl2N3/c10-8-6-3-1-2-5(4-12)7(6)13-9(11)14-8/h1-3H
InChIKey
LUCPYAXUBBOULM-UHFFFAOYSA-N
Synonyms
2,4-dichloroquinazoline-8-carbonitrile
DTXSID40654021
RefChem:246362
DTXCID70604771
958-235-8
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
10
H-bond acceptors
3
Molar refractivity
54.27
TPSA
49.57
LogP / Solubility
WLOGP
2.81
MLOGP
2.47
XLogP3
3.2
Consensus LogP
2.83
Log S (ESOL)
-3.53
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.42
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.45
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)
-2.09
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
Safety & Transport
Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
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