![CAS 1184761-02-1 (2,3-Dihydro-benzo[1,4]dioxin-5-yl)-(4-hydroxyMethyl-piperidin-1-yl)-Methanone molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB42575054.gif)
CAS RN: 1184761-02-1
(2,3-Dihydro-benzo[1,4]dioxin-5-yl)-(4-hydroxyMethyl-piperidin-1-yl)-Methanone
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20251125 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1184761-02-1
- Purity/Analytical Methods: >99.0%
1184761-02-1 / 2,3-dihydro-1,4-benzodioxin-5-yl-[4-(hydroxymethyl)piperidin-1-yl]methanone
(2,3-Dihydrobenzo[b][1,4]dioxin-5-yl)(4-(hydroxymethyl)piperidin-1-yl)methanone | (2,3-Dihydro-benzo[1,4]dioxin-5-yl)-(4-hydroxymethyl-piperidin-1-yl)-methanone | [1-(2,3-DIHYDRO-1,4-BENZODIOXINE-5-CARBONYL)PIPERIDIN-4-YL]METHANOL
Basic Information
CAS
1184761-02-1
Multi CAS
No
Molecular Formula
C15H19NO4
Molecular Weight
277.310000
Exact Mass
277.131408
SMILES
C1CN(CCC1CO)C(=O)C2=C3C(=CC=C2)OCCO3
InChI
InChI=1S/C15H19NO4/c17-10-11-4-6-16(7-5-11)15(18)12-2-1-3-13-14(12)20-9-8-19-13/h1-3,11,17H,4-10H2
InChIKey
GTTJYMHPRITRQU-UHFFFAOYSA-N
Synonyms
(2,3-Dihydrobenzo[b][1,4]dioxin-5-yl)(4-(hydroxymethyl)piperidin-1-yl)methanone
(2,3-Dihydro-benzo[1,4]dioxin-5-yl)-(4-hydroxymethyl-piperidin-1-yl)-methanone
[1-(2,3-DIHYDRO-1,4-BENZODIOXINE-5-CARBONYL)PIPERIDIN-4-YL]METHANOL
2,3-dihydro-1,4-benzodioxin-5-yl-[4-(hydroxymethyl)piperidin-1-yl]methanone
AKOS010182909
Computed Properties
Structural Parameters
Heavy atom count
20
Aromatic heavy atom count
6
Fraction Csp3
0.53
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
1
Molar refractivity
73.15
TPSA
59
LogP / Solubility
WLOGP
1.3
MLOGP
1.16
XLogP3
1.2
Consensus LogP
1.22
Log S (ESOL)
-2.47
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.77
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.78
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)
-3.49
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5
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