![CAS 1154969-99-9 (2,3-Dihydro-benzo[1,4]dioxin-5-yl)-(4-hydroxy-piperidin-1-yl)-Methanone molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB72575055.gif)
CAS RN: 1154969-99-9
(2,3-Dihydro-benzo[1,4]dioxin-5-yl)-(4-hydroxy-piperidin-1-yl)-Methanone
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250319 | 100mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1154969-99-9
- Purity/Analytical Methods: >99.0%
1154969-99-9 / 2,3-dihydro-1,4-benzodioxin-5-yl-(4-hydroxypiperidin-1-yl)methanone
(2,3-Dihydrobenzo[b][1,4]dioxin-5-yl)(4-hydroxypiperidin-1-yl)methanone | (2,3-Dihydro-benzo[1,4]dioxin-5-yl)-(4-hydroxy-piperidin-1-yl)-methanone | Methanone, (2,3-dihydro-1,4-benzodioxin-5-yl)(4-hydroxy-1-piperidinyl)-
Basic Information
CAS
1154969-99-9
Multi CAS
No
Molecular Formula
C14H17NO4
Molecular Weight
263.290000
Exact Mass
263.115758
SMILES
C1CN(CCC1O)C(=O)C2=C3C(=CC=C2)OCCO3
InChI
InChI=1S/C14H17NO4/c16-10-4-6-15(7-5-10)14(17)11-2-1-3-12-13(11)19-9-8-18-12/h1-3,10,16H,4-9H2
InChIKey
MDBLBASXTHYNLT-UHFFFAOYSA-N
Synonyms
(2,3-Dihydrobenzo[b][1,4]dioxin-5-yl)(4-hydroxypiperidin-1-yl)methanone
(2,3-Dihydro-benzo[1,4]dioxin-5-yl)-(4-hydroxy-piperidin-1-yl)-methanone
Methanone, (2,3-dihydro-1,4-benzodioxin-5-yl)(4-hydroxy-1-piperidinyl)-
2,3-dihydro-1,4-benzodioxin-5-yl-(4-hydroxypiperidin-1-yl)methanone
1-(2,3-DIHYDRO-1,4-BENZODIOXINE-5-CARBONYL)PIPERIDIN-4-OL
Computed Properties
Structural Parameters
Heavy atom count
19
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
1
Molar refractivity
68.58
TPSA
59
LogP / Solubility
WLOGP
1.05
MLOGP
0.94
XLogP3
1
Consensus LogP
1
Log S (ESOL)
-2.3
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.48
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.37
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.58
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5
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