CAS RN: 944902-33-4
4-Chloro-2-Methyl-7,8-dihydroquinazolin-6(5H)-one
Product Availability
Choose a grade to view its available package options.
2 package records0 with current stock1 grade group
- Product code: starshine_CAS944902-33-4
- Purity/Analytical Methods: >99.0%
944902-33-4 / 4-chloro-2-methyl-7,8-dihydro-5H-quinazolin-6-one
Basic Information
CAS
944902-33-4
Multi CAS
No
Molecular Formula
C9H9CLN2O
Molecular Weight
196.630000
Exact Mass
196.040341
InChI
InChI=1S/C9H9ClN2O/c1-5-11-8-3-2-6(13)4-7(8)9(10)12-5/h2-4H2,1H3
InChIKey
PQEIAONFSQWRJP-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.44
H-bond acceptors
3
Molar refractivity
48.81
TPSA
42.85
LogP / Solubility
WLOGP
1.5
MLOGP
1.32
XLogP3
1.3
Consensus LogP
1.37
Log S (ESOL)
-2.34
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.25
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.18
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.86
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
Customers Also Viewed
-
-
-
-
2-BROMO-6-CHLORO-IMIDAZO[1,2-B]PYRIDAZINE
- CAS RN: 944902-75-4
- Product Code: starshine_CAS944902-75-4
- Purity/Analytical method: >99.0%
-
2,4-Dichloro-7,8-dihydro-5H-pyrano[4,3-d]pyriMidine
- CAS RN: 944902-88-9
- Product Code: SSC-209469
-
IMidazo[1,2-a]pyridine-3-carboxylic acid, 7-Methoxy-
- CAS RN: 944902-97-0
- Product Code: SSC-209470
![CAS 944902-75-4 2-BROMO-6-CHLORO-IMIDAZO[1,2-B]PYRIDAZINE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/944902-75-4.gif)
![CAS 944902-88-9 2,4-Dichloro-7,8-dihydro-5H-pyrano[4,3-d]pyriMidine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/944902-88-9.gif)
![CAS 944902-97-0 IMidazo[1,2-a]pyridine-3-carboxylic acid, 7-Methoxy- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/944902-97-0.gif)