CAS RN: 1417793-34-0
4-(Piperidin-4-ylMethylsulfanylMethyl)-pyridine 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.20250707 | 100mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1417793-34-0
- Purity/Analytical Methods: >99.0%
1417793-34-0 / 4-(piperidin-4-ylmethylsulfanylmethyl)pyridine;hydrochloride
Basic Information
CAS
1417793-34-0
Multi CAS
No
Molecular Formula
C12H19ClN2S
Molecular Weight
258.810000
Exact Mass
258.095748
SMILES
C1CNCCC1CSCC2=CC=NC=C2.Cl
InChI
InChI=1S/C12H18N2S.ClH/c1-5-13-6-2-11(1)9-15-10-12-3-7-14-8-4-12;/h1-2,5-6,12,14H,3-4,7-10H2;1H
InChIKey
XFSAKVKUVKWHPC-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.58
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
1
Molar refractivity
73.24
TPSA
24.92
LogP / Solubility
WLOGP
2.74
MLOGP
2.41
XLogP3
2.74
Consensus LogP
2.63
Log S (ESOL)
-3.18
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.66
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.09
Class (SILICOS-IT)
Slightly 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)
-2.36
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
-
1-(3-Methoxy-4-nitro-phenyl)-3-Methyl-piperazine hydrochloride
- CAS RN: 1417793-88-4
- Product Code: starshine_CAS1417793-88-4
- Purity/Analytical method: >99.0%
-
Ethyl-[2-(piperidin-4-ylMethoxy)-pyriMidin-4-yl]-aMine hydrochloride
- CAS RN: 1417794-02-5
- Product Code: starshine_CAS1417794-02-5
- Purity/Analytical method: >99.0%
-
5-Chloro-2-(pyrrolidin-3-ylMethylsulfanyl)-pyriMidine hydrochloride
- CAS RN: 1417794-07-0
- Product Code: starshine_CAS1417794-07-0
- Purity/Analytical method: >99.0%
-
{1-[1-(4-Fluoro-benzyl)-1H-benzoiMidazol-2-yl]-piperidin-4-yl}-Methanol
- CAS RN: 1417794-15-0
- Product Code: starshine_CAS1417794-15-0
- Purity/Analytical method: >99.0%
-
3-Chloro-2-(piperidin-4-yloxy)-5-trifluoroMethyl-pyridine hydrochloride
- CAS RN: 1417794-23-0
- Product Code: starshine_CAS1417794-23-0
- Purity/Analytical method: >99.0%
-
3-(trifluoroMethyl)piperidin-3-ol hydrochloride
- CAS RN: 1417794-45-6
- Product Code: SSC-052465
![CAS 1417794-02-5 Ethyl-[2-(piperidin-4-ylMethoxy)-pyriMidin-4-yl]-aMine hydrochloride molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1417794-02-5.gif)
![CAS 1417794-15-0 {1-[1-(4-Fluoro-benzyl)-1H-benzoiMidazol-2-yl]-piperidin-4-yl}-Methanol molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1417794-15-0.gif)
.gif)