CAS RN: 25818-88-6
3-(4-OXOQUINAZOLIN-3(4H)-YL)PROPANOIC ACID
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.20250726 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS25818-88-6
- Purity/Analytical Methods: >99.0%
25818-88-6 / 3-(4-oxoquinazolin-3-yl)propanoic acid
Basic Information
CAS
25818-88-6
Multi CAS
No
Molecular Formula
C11H10N2O3
Molecular Weight
218.210000
Exact Mass
218.069142
SMILES
C1=CC=C2C(=C1)C(=O)N(C=N2)CCC(=O)O
InChI
InChI=1S/C11H10N2O3/c14-10(15)5-6-13-7-12-9-4-2-1-3-8(9)11(13)16/h1-4,7H,5-6H2,(H,14,15)
InChIKey
AMEGJBZWDKOWDQ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
10
Fraction Csp3
0.18
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
1
Molar refractivity
58.26
TPSA
72.19
LogP / Solubility
WLOGP
0.87
MLOGP
0.77
XLogP3
0.2
Consensus LogP
0.61
Log S (ESOL)
-2.01
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.98
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.16
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)
-3.43
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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