CAS RN: 1693766-04-9
1-(1-(3-methoxyphenyl)-7-propoxyindolizin-3-yl)ethanone
Product Availability
Choose a grade to view its available package options.
8 package records3 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20260312 | 100mg | Out of stock | Inquiry | ||
| Batchno.20250221 | 10mg | In stock | Shanghai | Inquiry | |
| Batchno.20251006 | 1mg | In stock | Shanghai | Inquiry | |
| Batchno.20250715 | 1mg / 5mg | Out of stock | 5-7 business days | Inquiry | |
| Batchno.20260425 | 250mg | Out of stock | Inquiry | ||
| Batchno.20260528 | 25mg | Out of stock | Inquiry | ||
| Batchno.20260615 | 50mg | Out of stock | Inquiry | ||
| Batchno.20250421 | 5mg | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS1693766-04-9
- Purity/Analytical Methods: >99.0%
1693766-04-9 / 1-[1-(3-methoxyphenyl)-7-propoxyindolizin-3-yl]ethanone
Basic Information
CAS
1693766-04-9
Multi CAS
No
Molecular Formula
C20H21NO3
Molecular Weight
323.400000
Exact Mass
323.152144
SMILES
CCCOC1=CC2=C(C=C(N2C=C1)C(=O)C)C3=CC(=CC=C3)OC
InChI
InChI=1S/C20H21NO3/c1-4-10-24-17-8-9-21-19(14(2)22)13-18(20(21)12-17)15-6-5-7-16(11-15)23-3/h5-9,11-13H,4,10H2,1-3H3
InChIKey
QQBGNWWJANJWNY-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
24
Aromatic heavy atom count
15
Fraction Csp3
0.25
Rotatable bonds
6
H-bond acceptors
4
Molar refractivity
95.18
TPSA
39.94
LogP / Solubility
WLOGP
4.61
MLOGP
4.07
XLogP3
5
Consensus LogP
4.56
Log S (ESOL)
-4.81
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.54
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.31
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.42
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
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