CAS RN: 1388050-80-3
7-bromo-2-chloro-4-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.20250724 | 100mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS1388050-80-3
- Purity/Analytical Methods: >99.0%
1388050-80-3 / 7-bromo-2-chloro-4-methylquinazoline
Basic Information
CAS
1388050-80-3
Multi CAS
No
Molecular Formula
C9H6BrClN2
Molecular Weight
257.510000
Exact Mass
255.940290
SMILES
CC1=C2C=CC(=CC2=NC(=N1)Cl)Br
InChI
InChI=1S/C9H6BrClN2/c1-5-7-3-2-6(10)4-8(7)13-9(11)12-5/h2-4H,1H3
InChIKey
GAYUMQQOCISWOZ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
10
Fraction Csp3
0.11
H-bond acceptors
2
Molar refractivity
56.99
TPSA
25.78
LogP / Solubility
WLOGP
3.35
MLOGP
2.96
XLogP3
3.6
Consensus LogP
3.3
Log S (ESOL)
-4.12
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.09
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.12
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)
-1.91
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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