CAS RN: 2055050-87-6
LAU159
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.20251023 | 10mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS2055050-87-6
- Purity/Analytical Methods: >99.0%
2055050-87-6 / 8-chloro-2-(3-methoxyphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one
Basic Information
CAS
2055050-87-6
Multi CAS
No
Molecular Formula
C17H12ClN3O2
Molecular Weight
325.700000
Exact Mass
325.061804
SMILES
COC1=CC=CC(=C1)N2C(=O)C3=CN=C4C=CC(=CC4=C3N2)Cl
InChI
InChI=1S/C17H12ClN3O2/c1-23-12-4-2-3-11(8-12)21-17(22)14-9-19-15-6-5-10(18)7-13(15)16(14)20-21/h2-9,20H,1H3
InChIKey
PAQDEKQVYZRUSQ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
23
Aromatic heavy atom count
19
Fraction Csp3
0.06
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
1
Molar refractivity
90.76
TPSA
59.91
LogP / Solubility
WLOGP
3.53
MLOGP
3.12
XLogP3
3.8
Consensus LogP
3.48
Log S (ESOL)
-4.56
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.78
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.95
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.2
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
PAINS alerts
1
Leadlikeness
No
Synthetic Accessibility
3
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