CAS RN: 152536-21-5
6-Quinazolinecarboxylic acid, 3,4-dihydro-4-oxo-, Methyl ester
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.20251206 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS152536-21-5
- Purity/Analytical Methods: >99.0%
152536-21-5 / methyl 4-oxo-3H-quinazoline-6-carboxylate
Basic Information
CAS
152536-21-5
Multi CAS
No
Molecular Formula
C10H8N2O3
Molecular Weight
204.180000
Exact Mass
204.053492
SMILES
COC(=O)C1=CC2=C(C=C1)N=CNC2=O
InChI
InChI=1S/C10H8N2O3/c1-15-10(14)6-2-3-8-7(4-6)9(13)12-5-11-8/h2-5H,1H3,(H,11,12,13)
InChIKey
AZKJJWQKQGSQPY-UHFFFAOYSA-N
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
53.7
TPSA
72.05
LogP / Solubility
WLOGP
0.71
MLOGP
0.63
XLogP3
0.6
Consensus LogP
0.65
Log S (ESOL)
-1.98
Class (ESOL)
Soluble
Log S (Ali)
-1.75
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.7
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)
-3.46
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
Customers Also Viewed
-
Methyl 2,4-dichloroquinazoline-5-carboxylate
- CAS RN: 152536-24-8
- Product Code: SSC-062324
-
-
TERT-BUTYL 3-(2-HYDROXYETHYL)AZETIDINE-1-CARBOXYLATE
- CAS RN: 152537-03-6
- Product Code: SSC-062326
-
-
-
Fmoc-N-methyl-L-aspartic acid 4-tert-butyl ester
- CAS RN: 152548-66-8
- Product Code: SSC-062339
