CAS RN: 1060817-67-5
3-methyl-4-oxo-3,4-dihydro-7-quinazolinecarboxylic acid(SALTDATA: FREE)
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.20260620 | 100mg / 250mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS1060817-67-5
- Purity/Analytical Methods: >99.0%
1060817-67-5 / 3-methyl-4-oxoquinazoline-7-carboxylic acid
3-METHYL-4-OXO-3,4-DIHYDRO-7-QUINAZOLINECARBOXYLIC ACID | 3-methyl-4-oxo-3,4-dihydroquinazoline-7-carboxylic acid | 3-methyl-4-oxoquinazoline-7-carboxylic acid
Basic Information
CAS
1060817-67-5
Multi CAS
No
Molecular Formula
C10H8N2O3
Molecular Weight
204.180000
Exact Mass
204.053492
SMILES
CN1C=NC2=C(C1=O)C=CC(=C2)C(=O)O
InChI
InChI=1S/C10H8N2O3/c1-12-5-11-8-4-6(10(14)15)2-3-7(8)9(12)13/h2-5H,1H3,(H,14,15)
InChIKey
VXTJQVWLKUDPMD-UHFFFAOYSA-N
Synonyms
3-METHYL-4-OXO-3,4-DIHYDRO-7-QUINAZOLINECARBOXYLIC ACID
3-methyl-4-oxo-3,4-dihydroquinazoline-7-carboxylic acid
3-methyl-4-oxoquinazoline-7-carboxylic acid
MFCD11054010
3-methyl-4-oxo-quinazoline-7-carboxylic acid
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
10
Fraction Csp3
0.1
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
1
Molar refractivity
53.94
TPSA
72.19
LogP / Solubility
WLOGP
0.63
MLOGP
0.56
XLogP3
0.2
Consensus LogP
0.46
Log S (ESOL)
-1.93
Class (ESOL)
Soluble
Log S (Ali)
-1.69
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.63
Class (SILICOS-IT)
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)
-3.52
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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