CAS RN: 864293-00-5
2,4-dihydroxyquinazoline-7-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.20260324 | 1g | Out of stock | 30 business days | Inquiry |
- Product code: starshine_CAS864293-00-5
- Purity/Analytical Methods: >99.0%
864293-00-5 / 2,4-dioxo-1H-quinazoline-7-carboxylic acid
Basic Information
CAS
864293-00-5
Multi CAS
No
Molecular Formula
C9H6N2O4
Molecular Weight
206.150000
Exact Mass
206.032757
InChI
InChI=1S/C9H6N2O4/c12-7-5-2-1-4(8(13)14)3-6(5)10-9(15)11-7/h1-3H,(H,13,14)(H2,10,11,12,15)
InChIKey
MSNNFPGHLBKVCS-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
10
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
3
Molar refractivity
52.15
TPSA
103.02
LogP / Solubility
WLOGP
-0.09
MLOGP
-0.07
XLogP3
0.3
Consensus LogP
0.05
Log S (ESOL)
-1.49
Class (ESOL)
Soluble
Log S (Ali)
-1.19
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.05
Class (SILICOS-IT)
Soluble
ADME
GI absorption
High
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)
-4.04
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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