![CAS 174842-56-9 ETHYL 5-CHLOROPYRAZOLO[1,5-A]QUINAZOLINE-3-CARBOXYLATE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/174842-56-9.gif)
CAS RN: 174842-56-9
ETHYL 5-CHLOROPYRAZOLO[1,5-A]QUINAZOLINE-3-CARBOXYLATE
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.20260325 | 100mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS174842-56-9
- Purity/Analytical Methods: >99.0%
174842-56-9 / ethyl 5-chloropyrazolo[1,5-a]quinazoline-3-carboxylate
Basic Information
CAS
174842-56-9
Multi CAS
No
Molecular Formula
C13H10ClN3O2
Molecular Weight
275.690000
Exact Mass
275.046154
SMILES
CCOC(=O)C1=C2N=C(C3=CC=CC=C3N2N=C1)Cl
InChI
InChI=1S/C13H10ClN3O2/c1-2-19-13(18)9-7-15-17-10-6-4-3-5-8(10)11(14)16-12(9)17/h3-7H,2H2,1H3
InChIKey
BIJDJCYFVGJPAY-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Aromatic heavy atom count
13
Fraction Csp3
0.15
Rotatable bonds
2
H-bond acceptors
5
Molar refractivity
71.46
TPSA
56.49
LogP / Solubility
WLOGP
2.71
MLOGP
2.4
XLogP3
2.8
Consensus LogP
2.64
Log S (ESOL)
-3.63
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.78
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.94
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.48
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5
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