CAS RN: 174074-88-5
7-Quinazolinecarboxylic acid, 1,2,3,4-tetrahydro-2,4-dioxo-, Methyl ester
Product Availability
Choose a grade to view its available package options.
5 package records4 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20260206 | 100mg / 250mg | Out of stock | 15 business days | Inquiry |
- Product code: SSC-076401
Verified Factory Data
Supply Overview & Packaging Options
Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.
- Pack sizes on record: 0.1g, 0.25g, 1g, 5g
- Available purity: >97%
- Inventory rows with stock: 4
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
174074-88-5 / methyl 2,4-dioxo-1H-quinazoline-7-carboxylate
Basic Information
CAS
174074-88-5
Multi CAS
No
Molecular Formula
C10H8N2O4
Molecular Weight
220.180000
Exact Mass
220.048407
SMILES
COC(=O)C1=CC2=C(C=C1)C(=O)NC(=O)N2
InChI
InChI=1S/C10H8N2O4/c1-16-9(14)5-2-3-6-7(4-5)11-10(15)12-8(6)13/h2-4H,1H3,(H2,11,12,13,15)
InChIKey
CZKCZHGGECJJMQ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
10
Fraction Csp3
0.1
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
2
Molar refractivity
56.53
TPSA
92.02
LogP / Solubility
MLOGP
0.01
XLogP3
0.6
Consensus LogP
0.2
Log S (ESOL)
-1.6
Class (ESOL)
Soluble
Log S (Ali)
-1.37
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.21
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)
-4.06
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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