![CAS 1353980-87-6 (1R,4R)-2,3-Dihydro-benzo[1,4]dioxine-5-carboxylic acid (4-hydroxy-cyclohexyl)-aMide molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1353980-87-6.gif)
CAS RN: 1353980-87-6
(1R,4R)-2,3-Dihydro-benzo[1,4]dioxine-5-carboxylic acid (4-hydroxy-cyclohexyl)-aMide
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260331 | 250mg / 1g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS1353980-87-6
- Purity/Analytical Methods: >99.0%
1353980-87-6 / N-(4-hydroxycyclohexyl)-2,3-dihydro-1,4-benzodioxine-5-carboxamide
Basic Information
CAS
1353980-87-6
Multi CAS
No
Molecular Formula
C15H19NO4
Molecular Weight
277.310000
Exact Mass
277.131408
SMILES
C1CC(CCC1NC(=O)C2=C3C(=CC=C2)OCCO3)O
InChI
InChI=1S/C15H19NO4/c17-11-6-4-10(5-7-11)16-15(18)12-2-1-3-13-14(12)20-9-8-19-13/h1-3,10-11,17H,4-9H2,(H,16,18)
InChIKey
KRARMXRHEVGHOI-UHFFFAOYSA-N
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
2
Molar refractivity
73.16
TPSA
67.79
LogP / Solubility
WLOGP
1.49
MLOGP
1.32
XLogP3
1.6
Consensus LogP
1.47
Log S (ESOL)
-2.59
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.91
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.94
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)
-3.35
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5
Customers Also Viewed
-
![CAS 1353981-69-7 (3-AMinoMethyl-piperidin-1-yl)-(2,3-dihydro-benzo[1,4]dioxin-2-yl)-Methanone hydrochloride molecular structure](data:image/svg+xml,%3Csvg%20xmlns='http://www.w3.org/2000/svg'%20viewBox='0%200%200%200'%3E%3C/svg%3E)
(3-AMinoMethyl-piperidin-1-yl)-(2,3-dihydro-benzo[1,4]dioxin-2-yl)-Methanone hydrochloride
- CAS RN: 1353981-69-7
- Product Code: starshine_CAS1353981-69-7
- Purity/Analytical method: >99.0%
-
1-(6-Methoxy-pyriMidin-4-yl)-pyrrolidin-3-ol
- CAS RN: 1353984-40-3
- Product Code: SSC-043698
-
1-(4-Chloro-6-methyl-pyrimidin-2-yl)-piperidin-4-ol
- CAS RN: 1353984-94-7
- Product Code: starshine_CAS1353984-94-7
- Purity/Analytical method: >99.0%
-
(6-Methoxy-pyriMidin-4-yl)-piperidin-4-yl-aMine hydrochloride
- CAS RN: 1353984-99-2
- Product Code: starshine_CAS1353984-99-2
- Purity/Analytical method: >99.0%
-
1-(2,3-Dihydro-benzo[1,4]dioxin-2-ylMethyl)-piperidin-4-ol
- CAS RN: 1353985-43-9
- Product Code: starshine_CAS1353985-43-9
- Purity/Analytical method: >99.0%
-
1-(6-DiethylaMino-pyriMidin-4-yl)-piperidine-4-carboxylic acid
- CAS RN: 1353985-75-7
- Product Code: starshine_CAS1353985-75-7
- Purity/Analytical method: >99.0%
![CAS 1353981-69-7 (3-AMinoMethyl-piperidin-1-yl)-(2,3-dihydro-benzo[1,4]dioxin-2-yl)-Methanone hydrochloride molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB82575168(1).gif)
.gif)
.gif)
.gif)
![CAS 1353985-43-9 1-(2,3-Dihydro-benzo[1,4]dioxin-2-ylMethyl)-piperidin-4-ol molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB92577952(1).gif)
.gif)