CAS RN: 1698026-73-1
6-bromo-7-chloro-2-methylquinazolin-4-ol
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.20251005 | 1g | Out of stock | 30 business days | Inquiry |
- Product code: starshine_CAS1698026-73-1
- Purity/Analytical Methods: >99.0%
1698026-73-1 / 6-bromo-7-chloro-2-methyl-3H-quinazolin-4-one
Basic Information
CAS
1698026-73-1
Multi CAS
No
Molecular Formula
C9H6BrClN2O
Molecular Weight
273.510000
Exact Mass
271.935200
SMILES
CC1=NC2=CC(=C(C=C2C(=O)N1)Br)Cl
InChI
InChI=1S/C9H6BrClN2O/c1-4-12-8-3-7(11)6(10)2-5(8)9(14)13-4/h2-3H,1H3,(H,12,13,14)
InChIKey
OOMALTMQVIGSRO-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
10
Fraction Csp3
0.11
H-bond acceptors
2
H-bond donors
1
Molar refractivity
59.81
TPSA
45.75
LogP / Solubility
WLOGP
2.65
MLOGP
2.34
XLogP3
2
Consensus LogP
2.33
Log S (ESOL)
-3.73
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.71
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.64
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)
-2.51
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5
Customers Also Viewed
-
tert-butyl 4-(7-bromo-6-chloroquinazolin-4-yl)piperazine-1-carboxylate
- CAS RN: 1698027-00-7
- Product Code: starshine_CAS1698027-00-7
- Purity/Analytical method: >99.0%
-
-
2-AMINO-4-BROMO-5-CHLORO-3-FLUOROBENZOIC ACID(WXFC0536)
- CAS RN: 1698027-17-6
- Product Code: SSC-074403
-
-
-
tert-butyl 4-(7-bromo-6-chloro-8-fluoroquinazolin-4-yl)piperazine-1-carboxylate
- CAS RN: 1698027-20-1
- Product Code: SSC-074406
