CAS RN: 2252395-44-9
J22352
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.20250928 | 5mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS2252395-44-9
- Purity/Analytical Methods: >99.0%
2252395-44-9 / 4-[[2,4-dioxo-3-(2-phenylethyl)quinazolin-1-yl]methyl]-N-hydroxybenzamide
Basic Information
CAS
2252395-44-9
Multi CAS
No
Molecular Formula
C24H21N3O4
Molecular Weight
415.400000
Exact Mass
415.153206
SMILES
C1=CC=C(C=C1)CCN2C(=O)C3=CC=CC=C3N(C2=O)CC4=CC=C(C=C4)C(=O)NO
InChI
InChI=1S/C24H21N3O4/c28-22(25-31)19-12-10-18(11-13-19)16-27-21-9-5-4-8-20(21)23(29)26(24(27)30)15-14-17-6-2-1-3-7-17/h1-13,31H,14-16H2,(H,25,28)
InChIKey
JBJIKUXUKSADFV-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
31
Aromatic heavy atom count
22
Fraction Csp3
0.12
Rotatable bonds
6
H-bond acceptors
6
H-bond donors
2
Molar refractivity
117.41
TPSA
93.33
LogP / Solubility
WLOGP
2.57
MLOGP
2.29
XLogP3
3
Consensus LogP
2.62
Log S (ESOL)
-4.17
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.82
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.22
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-3.43
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3
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