CAS RN: 60548-00-7
2,4(1H,3H)-Quinazolinedione, 6-methoxy-7-(phenylmethoxy)-
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.20260314 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS60548-00-7
- Purity/Analytical Methods: >99.0%
60548-00-7 / 6-methoxy-7-phenylmethoxy-1H-quinazoline-2,4-dione
Basic Information
CAS
60548-00-7
Multi CAS
Yes
Molecular Formula
C16H14N2O4
Molecular Weight
298.290000
Exact Mass
298.095357
InChI
InChI=1S/C16H14N2O4/c1-21-13-7-11-12(17-16(20)18-15(11)19)8-14(13)22-9-10-5-3-2-4-6-10/h2-8H,9H2,1H3,(H2,17,18,19,20)
InChIKey
YXHRCWBYZRCCFE-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
22
Aromatic heavy atom count
16
Fraction Csp3
0.12
Rotatable bonds
4
H-bond acceptors
4
H-bond donors
2
Molar refractivity
82.52
TPSA
84.18
LogP / Solubility
WLOGP
1.8
MLOGP
1.6
XLogP3
1.9
Consensus LogP
1.77
Log S (ESOL)
-3.1
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.31
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.58
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.26
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2.5
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