CAS RN: 1215208-59-5
B014
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.20250702 | 5mg / 25mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1215208-59-5
- Purity/Analytical Methods: >99.0%
1215208-59-5 / quinolin-6-yl-(3,4,5-trimethoxyphenyl)methanone
Basic Information
CAS
1215208-59-5
Multi CAS
No
Molecular Formula
C19H17NO4
Molecular Weight
323.300000
Exact Mass
323.115758
SMILES
COC1=CC(=CC(=C1OC)OC)C(=O)C2=CC3=C(C=C2)N=CC=C3
InChI
InChI=1S/C19H17NO4/c1-22-16-10-14(11-17(23-2)19(16)24-3)18(21)13-6-7-15-12(9-13)5-4-8-20-15/h4-11H,1-3H3
InChIKey
GSGXITQZCMSYKF-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
24
Aromatic heavy atom count
16
Fraction Csp3
0.16
Rotatable bonds
5
H-bond acceptors
5
Molar refractivity
91.27
TPSA
57.65
LogP / Solubility
WLOGP
3.49
MLOGP
3.09
XLogP3
3.2
Consensus LogP
3.26
Log S (ESOL)
-4.21
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.73
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.26
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)
-2.21
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2.5
Safety & Transport
Pictogram(s)
Acute Toxic
Signal
Danger
GHS Hazard Statements
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
Precautionary Statement Codes
P264, P270, P301+P316, P321, P330, P405, and P501
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