.gif)
CAS RN: 1353980-13-8
1-(3-Chloro-benzyl)-piperidine-3-carboxylic acid 3-chloro-benzyl ester
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.20260628 | 100mg / 250mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1353980-13-8
- Purity/Analytical Methods: >99.0%
1353980-13-8 / (3-chlorophenyl)methyl 1-[(3-chlorophenyl)methyl]piperidine-3-carboxylate
Basic Information
CAS
1353980-13-8
Multi CAS
No
Molecular Formula
C20H21Cl2NO2
Molecular Weight
378.300000
Exact Mass
377.094934
SMILES
C1CC(CN(C1)CC2=CC(=CC=C2)Cl)C(=O)OCC3=CC(=CC=C3)Cl
InChI
InChI=1S/C20H21Cl2NO2/c21-18-7-1-4-15(10-18)12-23-9-3-6-17(13-23)20(24)25-14-16-5-2-8-19(22)11-16/h1-2,4-5,7-8,10-11,17H,3,6,9,12-14H2
InChIKey
PBVXAIKUVNEOID-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
25
Aromatic heavy atom count
12
Fraction Csp3
0.35
Rotatable bonds
5
H-bond acceptors
3
Molar refractivity
100.7
TPSA
29.54
LogP / Solubility
WLOGP
4.95
MLOGP
4.38
XLogP3
4.9
Consensus LogP
4.74
Log S (ESOL)
-5.33
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.24
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.83
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.51
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3
Customers Also Viewed
-
4-Ethoxy-2-Methylsulfanyl-6-(piperidin-2-ylMethoxy)-pyriMidine hydrochloride
- CAS RN: 1353980-63-8
- Product Code: starshine_CAS1353980-63-8
- Purity/Analytical method: >99.0%
-
2,3-Dihydro-benzo[1,4]dioxine-5-carboxylic acid piperidin-4-ylaMide hydrochloride
- CAS RN: 1353980-67-2
- Product Code: starshine_CAS1353980-67-2
- Purity/Analytical method: >99.0%
-
(4-AMino-piperidin-1-yl)-benzo[1,3]dioxol-5-yl-Methanone hydrochloride
- CAS RN: 1353980-73-0
- Product Code: starshine_CAS1353980-73-0
- Purity/Analytical method: >99.0%
-
(1R,4R)-2,3-Dihydro-benzo[1,4]dioxine-5-carboxylic acid (4-hydroxy-cyclohexyl)-aMide
- CAS RN: 1353980-87-6
- Product Code: starshine_CAS1353980-87-6
- Purity/Analytical method: >99.0%
-
(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
.gif)
![CAS 1353980-67-2 2,3-Dihydro-benzo[1,4]dioxine-5-carboxylic acid piperidin-4-ylaMide hydrochloride molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB52578623(1).gif)
![CAS 1353980-73-0 (4-AMino-piperidin-1-yl)-benzo[1,3]dioxol-5-yl-Methanone hydrochloride molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB32575224(1).gif)
![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 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)