![CAS 615568-24-6 2,3-dihydro-[1,4]dioxino[2,3-b]pyridine-6-carbaldehyde molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/615568-24-6.gif)
CAS RN: 615568-24-6
2,3-dihydro-[1,4]dioxino[2,3-b]pyridine-6-carbaldehyde
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250104 | 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS615568-24-6
- Purity/Analytical Methods: >99.0%
615568-24-6 / 2,3-dihydro-[1,4]dioxino[2,3-b]pyridine-6-carbaldehyde
Basic Information
CAS
615568-24-6
Multi CAS
No
Molecular Formula
C8H7NO3
Molecular Weight
165.150000
Exact Mass
165.042593
InChI
InChI=1S/C8H7NO3/c10-5-6-1-2-7-8(9-6)12-4-3-11-7/h1-2,5H,3-4H2
InChIKey
SUDWZZCLUSUTBF-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.25
Rotatable bonds
1
H-bond acceptors
4
Molar refractivity
40.61
TPSA
48.42
LogP / Solubility
WLOGP
0.67
MLOGP
0.58
XLogP3
0.7
Consensus LogP
0.65
Log S (ESOL)
-1.59
Class (ESOL)
Soluble
Log S (Ali)
-1.39
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.41
Class (SILICOS-IT)
Soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.26
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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