![CAS 185383-63-5 3-(1,4-DIOXASPIRO[4.5]DEC-7-EN-8-YL)-5-METHOXY-1H-INDOLE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB5740828.gif)
CAS RN: 185383-63-5
3-(1,4-DIOXASPIRO[4.5]DEC-7-EN-8-YL)-5-METHOXY-1H-INDOLE
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.20250615 | 1g / 5g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS185383-63-5
- Purity/Analytical Methods: >99.0%
185383-63-5 / 3-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)-5-methoxy-1H-indole
Basic Information
CAS
185383-63-5
Multi CAS
No
Molecular Formula
C17H19NO3
Molecular Weight
285.340000
Exact Mass
285.136493
SMILES
COC1=CC2=C(C=C1)NC=C2C3=CCC4(CC3)OCCO4
InChI
InChI=1S/C17H19NO3/c1-19-13-2-3-16-14(10-13)15(11-18-16)12-4-6-17(7-5-12)20-8-9-21-17/h2-4,10-11,18H,5-9H2,1H3
InChIKey
QYGVLTKSAUBNID-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
21
Aromatic heavy atom count
9
Fraction Csp3
0.41
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
81.31
TPSA
43.48
LogP / Solubility
WLOGP
3.49
MLOGP
3.08
XLogP3
2.5
Consensus LogP
3.02
Log S (ESOL)
-3.99
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.42
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.65
Class (SILICOS-IT)
Slightly 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)
-1.98
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
4
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