CAS RN: 5439-88-3
2,4-Dihydroxy-5,6,7,8-Tetrahydroquinazoline-6-Carboxylic 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.20250507 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS5439-88-3
- Purity/Analytical Methods: >99.0%
5439-88-3 / 2,4-dioxo-5,6,7,8-tetrahydro-1H-quinazoline-6-carboxylic acid
Basic Information
CAS
5439-88-3
Multi CAS
Yes
Molecular Formula
C9H10N2O4
Molecular Weight
210.190000
Exact Mass
210.064057
InChI
InChI=1S/C9H10N2O4/c12-7-5-3-4(8(13)14)1-2-6(5)10-9(15)11-7/h4H,1-3H2,(H,13,14)(H2,10,11,12,15)
InChIKey
IQXZHAQXJGOMQG-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.44
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
3
Molar refractivity
50.83
TPSA
103.02
LogP / Solubility
WLOGP
-0.75
MLOGP
-0.66
XLogP3
-0.8
Consensus LogP
-0.74
Log S (ESOL)
-0.9
Class (ESOL)
Very soluble
Log S (Ali)
-0.74
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.53
Class (SILICOS-IT)
Very soluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.53
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
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