CAS RN: 455323-66-7
Methyl 4-(4-piperidinyloxy)benzoate hydrochloride
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.20260331 | 50mg / 250mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS455323-66-7
- Purity/Analytical Methods: >99.0%
455323-66-7 / methyl 4-piperidin-4-yloxybenzoate;hydrochloride
Basic Information
CAS
455323-66-7
Multi CAS
No
Molecular Formula
C13H18CLNO3
Molecular Weight
271.740000
Exact Mass
271.097521
InChI
InChI=1S/C13H17NO3.ClH/c1-16-13(15)10-2-4-11(5-3-10)17-12-6-8-14-9-7-12;/h2-5,12,14H,6-9H2,1H3;1H
InChIKey
VRLHTHGGZZAAST-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
6
Fraction Csp3
0.46
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
1
Molar refractivity
71.55
TPSA
47.56
LogP / Solubility
WLOGP
2.03
MLOGP
1.79
XLogP3
2.03
Consensus LogP
1.95
Log S (ESOL)
-2.85
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.25
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.47
Class (SILICOS-IT)
Poorly 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)
-2.94
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5
Customers Also Viewed
-
![CAS 455330-37-7 Borate(1-), tetrakis[3,5-bis(trifluoroMethyl)phenyl]-, sodiuM, hydrate (9CI) molecular structure](data:image/svg+xml,%3Csvg%20xmlns='http://www.w3.org/2000/svg'%20viewBox='0%200%200%200'%3E%3C/svg%3E)
Borate(1-), tetrakis[3,5-bis(trifluoroMethyl)phenyl]-, sodiuM, hydrate (9CI)
- CAS RN: 455330-37-7
- Product Code: starshine_CAS455330-37-7
- Purity/Analytical method: >99.0%
-
Carbamic acid, [(1R)-4-oxo-2-cyclohexen-1-yl]-, 1,1-dimethylethyl ester (9CI)
- CAS RN: 455330-42-4
- Product Code: SSC-153289
-
-
2-PYRIDINECARBOXYLIC ACID, 4-(TRIFLUOROMETHYL)-, METHYL ESTER
- CAS RN: 455941-78-3
- Product Code: SSC-153305
-
-
N-(Methoxymethyl)-2-methyl-N-[(trimethylsilyl)-methyl]-2-propanamine
- CAS RN: 455954-96-8
- Product Code: SSC-153308
![CAS 455330-37-7 Borate(1-), tetrakis[3,5-bis(trifluoroMethyl)phenyl]-, sodiuM, hydrate (9CI) molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/455330-37-7.gif)
![CAS 455330-42-4 Carbamic acid, [(1R)-4-oxo-2-cyclohexen-1-yl]-, 1,1-dimethylethyl ester (9CI) molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/455330-42-4.gif)
![CAS 455954-96-8 N-(Methoxymethyl)-2-methyl-N-[(trimethylsilyl)-methyl]-2-propanamine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/455954-96-8.gif)