CAS RN: 1388050-63-2
2-Chloro-5-methylquinazoline
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.20260121 | 100mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1388050-63-2
- Purity/Analytical Methods: >99.0%
1388050-63-2 / 2-chloro-5-methylquinazoline
Basic Information
CAS
1388050-63-2
Multi CAS
No
Molecular Formula
C9H7ClN2
Molecular Weight
178.620000
Exact Mass
178.029776
SMILES
CC1=C2C=NC(=NC2=CC=C1)Cl
InChI
InChI=1S/C9H7ClN2/c1-6-3-2-4-8-7(6)5-11-9(10)12-8/h2-5H,1H3
InChIKey
VISHIPJKNNGLTL-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
10
Fraction Csp3
0.11
H-bond acceptors
2
Molar refractivity
49.29
TPSA
25.78
LogP / Solubility
WLOGP
2.59
MLOGP
2.28
XLogP3
2.9
Consensus LogP
2.59
Log S (ESOL)
-3.2
Class (ESOL)
Poorly soluble
Log S (Ali)
-2.9
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.97
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)
-1.97
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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