CAS RN: 1783401-69-3
8-QUINAZOLINECARBOXYLIC 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.20250807 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1783401-69-3
- Purity/Analytical Methods: >99.0%
1783401-69-3 / quinazoline-8-carboxylic acid
Basic Information
CAS
1783401-69-3
Multi CAS
No
Molecular Formula
C9H6N2O2
Molecular Weight
174.160000
Exact Mass
174.042927
SMILES
C1=CC2=CN=CN=C2C(=C1)C(=O)O
InChI
InChI=1S/C9H6N2O2/c12-9(13)7-3-1-2-6-4-10-5-11-8(6)7/h1-5H,(H,12,13)
InChIKey
UPGZAERNNNZSPM-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
10
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
46.5
TPSA
63.08
LogP / Solubility
WLOGP
1.33
MLOGP
1.17
XLogP3
1.1
Consensus LogP
1.2
Log S (ESOL)
-2.26
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.95
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.01
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)
-2.84
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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