CAS RN: 2070014-90-1
LY 303511 (hydrochloride)
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.20250417 | 5mg / 25mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS2070014-90-1
- Purity/Analytical Methods: >99.0%
2070014-90-1 / 8-phenyl-2-piperazin-1-ylchromen-4-one;hydrochloride
Basic Information
CAS
2070014-90-1
Multi CAS
No
Molecular Formula
C19H19ClN2O2
Molecular Weight
342.800000
Exact Mass
342.113506
SMILES
C1CN(CCN1)C2=CC(=O)C3=C(O2)C(=CC=C3)C4=CC=CC=C4.Cl
InChI
InChI=1S/C19H18N2O2.ClH/c22-17-13-18(21-11-9-20-10-12-21)23-19-15(7-4-8-16(17)19)14-5-2-1-3-6-14;/h1-8,13,20H,9-12H2;1H
InChIKey
QGVSIVYHHKLHPY-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
24
Aromatic heavy atom count
16
Fraction Csp3
0.21
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
1
Molar refractivity
100.25
TPSA
45.48
LogP / Solubility
WLOGP
3.29
MLOGP
2.91
XLogP3
3.29
Consensus LogP
3.16
Log S (ESOL)
-4.4
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.75
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.86
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.47
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
3
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