CAS RN: 953039-15-1
2-Chloro-7-methoxyquinazoline
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.20250927 | 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
953039-15-1 / 2-chloro-7-methoxyquinazoline
2-chloro-7-methoxyquinazoline | RefChem:86368 | 807-181-2
Basic Information
CAS
953039-15-1
Multi CAS
No
Molecular Formula
C9H7CLN2O
Molecular Weight
194.620000
Exact Mass
194.024691
SMILES
COC1=CC2=NC(=NC=C2C=C1)Cl
InChI
InChI=1S/C9H7ClN2O/c1-13-7-3-2-6-5-11-9(10)12-8(6)4-7/h2-5H,1H3
InChIKey
AYOXOMXNWRXDGY-UHFFFAOYSA-N
Synonyms
2-chloro-7-methoxyquinazoline
RefChem:86368
807-181-2
MFCD09907933
2-chloro-7-methoxymethoxy-10H-phenothiazin-3-ol
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
10
Fraction Csp3
0.11
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
51.1
TPSA
35.01
LogP / Solubility
WLOGP
2.29
MLOGP
2.02
XLogP3
2.5
Consensus LogP
2.27
Log S (ESOL)
-2.99
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.81
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.95
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.28
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
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]
H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]
Precautionary Statement Codes
P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, and P501 (click each P-code to see the statement)
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