.gif)
CAS RN: 1353958-55-0
3-(2,4-Dichloro-phenylsulfanylmethyl)-piperidine-1-carboxylic acid tert-butyl 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.20260114 | 100mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1353958-55-0
- Purity/Analytical Methods: >99.0%
1353958-55-0 / tert-butyl 3-[(2,4-dichlorophenyl)sulfanylmethyl]piperidine-1-carboxylate
Basic Information
CAS
1353958-55-0
Multi CAS
No
Molecular Formula
C17H23Cl2NO2S
Molecular Weight
376.300000
Exact Mass
375.082656
SMILES
CC(C)(C)OC(=O)N1CCCC(C1)CSC2=C(C=C(C=C2)Cl)Cl
InChI
InChI=1S/C17H23Cl2NO2S/c1-17(2,3)22-16(21)20-8-4-5-12(10-20)11-23-15-7-6-13(18)9-14(15)19/h6-7,9,12H,4-5,8,10-11H2,1-3H3
InChIKey
LHMASSSAOGSSHM-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
23
Aromatic heavy atom count
6
Fraction Csp3
0.59
Rotatable bonds
3
H-bond acceptors
3
Molar refractivity
97.72
TPSA
29.54
LogP / Solubility
WLOGP
5.73
MLOGP
5.07
XLogP3
5.3
Consensus LogP
5.37
Log S (ESOL)
-5.78
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.78
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.22
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-0.95
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3
Customers Also Viewed
-
![CAS 1353958-63-0 (2,3-Dihydro-benzo[1,4]dioxin-5-yl)-piperazin-1-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)
(2,3-Dihydro-benzo[1,4]dioxin-5-yl)-piperazin-1-yl-Methanone hydrochloride
- CAS RN: 1353958-63-0
- Product Code: starshine_CAS1353958-63-0
- Purity/Analytical method: >99.0%
-
3-(Benzooxazol-2-ylaMino)-pyrrolidine-1-carboxylic acid tert-butyl ester
- CAS RN: 1353958-77-6
- Product Code: starshine_CAS1353958-77-6
- Purity/Analytical method: >99.0%
-
“3-(5-Nitro-pyridin-2-ylsulfanylMethyl)-piperidine-1-carboxylic acid tert-butyl ester”
- CAS RN: 1353958-98-1
- Product Code: starshine_CAS1353958-98-1
- Purity/Analytical method: >99.0%
-
4-[(CarboxyMethyl-Methyl-aMino)-Methyl]-piperidine-1-carboxylic acid tert-butyl ester
- CAS RN: 1353960-10-7
- Product Code: starshine_CAS1353960-10-7
- Purity/Analytical method: >99.0%
-
-
2,3-Dihydro-benzo[1,4]dioxine-2-carboxylic acid piperidin-4-ylaMide hydrochloride
- CAS RN: 1353962-52-3
- Product Code: starshine_CAS1353962-52-3
- Purity/Analytical method: >99.0%
![CAS 1353958-63-0 (2,3-Dihydro-benzo[1,4]dioxin-5-yl)-piperazin-1-yl-Methanone hydrochloride molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB62575058(1).gif)
.gif)
.gif)
![CAS 1353960-10-7 4-[(CarboxyMethyl-Methyl-aMino)-Methyl]-piperidine-1-carboxylic acid tert-butyl ester molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB82580858(1).gif)
![CAS 1353962-52-3 2,3-Dihydro-benzo[1,4]dioxine-2-carboxylic acid piperidin-4-ylaMide hydrochloride molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB22578617(1).gif)