CAS RN: 1159976-90-5
2-Hydrazino-3-phenyl-2,3-dihydro-1H-quinazolin-4-one
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.20250629 | 100mg | Out of stock | 15 business days | Inquiry |
- Product code: LINH929604
1159976-90-5 / 2-hydrazinyl-3-phenyl-1,2-dihydroquinazolin-4-one
2-Hydrazino-3-phenyl-2,3-dihydro-1H-quinazolin-4-one | 2-hydrazinyl-3-phenyl-1,2,3,4-tetrahydroquinazolin-4-one
Basic Information
CAS
1159976-90-5
Multi CAS
No
Molecular Formula
C14H14N4O
Molecular Weight
254.290000
Exact Mass
254.116761
SMILES
C1=CC=C(C=C1)N2C(NC3=CC=CC=C3C2=O)NN
InChI
InChI=1S/C14H14N4O/c15-17-14-16-12-9-5-4-8-11(12)13(19)18(14)10-6-2-1-3-7-10/h1-9,14,16-17H,15H2
InChIKey
HHCDUYZEZJVMAH-UHFFFAOYSA-N
Synonyms
2-Hydrazino-3-phenyl-2,3-dihydro-1H-quinazolin-4-one
2-hydrazinyl-3-phenyl-1,2,3,4-tetrahydroquinazolin-4-one
Computed Properties
Structural Parameters
Heavy atom count
19
Aromatic heavy atom count
12
Fraction Csp3
0.07
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
3
Molar refractivity
74.43
TPSA
70.39
LogP / Solubility
WLOGP
1.51
MLOGP
1.33
XLogP3
1.8
Consensus LogP
1.55
Log S (ESOL)
-2.7
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.73
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.8
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.2
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2
