CAS RN: 1185316-81-7
1-Piperazin-1-yl-2-thiophen-3-yl-ethanone hydrochloride, 98+%
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.20250331 | 500mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1185316-81-7
- Purity/Analytical Methods: >99.0%
1185316-81-7 / 1-piperazin-1-yl-2-thiophen-3-ylethanone;hydrochloride
1-Piperazin-1-yl-2-thiophen-3-yl-ethanone hydrochloride | 1-(Piperazin-1-yl)-2-(thiophen-3-yl)ethanone hydrochloride | 1-piperazin-1-yl-2-thiophen-3-ylethanone;hydrochloride
Basic Information
CAS
1185316-81-7
Multi CAS
Yes
Molecular Formula
C10H15ClN2OS
Molecular Weight
246.760000
Exact Mass
246.059362
SMILES
C1CN(CCN1)C(=O)CC2=CSC=C2.Cl
InChI
InChI=1S/C10H14N2OS.ClH/c13-10(7-9-1-6-14-8-9)12-4-2-11-3-5-12;/h1,6,8,11H,2-5,7H2;1H
InChIKey
NBNUGWGCNFZIMQ-UHFFFAOYSA-N
Synonyms
1-Piperazin-1-yl-2-thiophen-3-yl-ethanone hydrochloride
1-(Piperazin-1-yl)-2-(thiophen-3-yl)ethanone hydrochloride
1-piperazin-1-yl-2-thiophen-3-ylethanone;hydrochloride
1-(piperazin-1-yl)-2-(thiophen-3-yl)ethan-1-one hydrochloride
1-(piperazin-1-yl)-2-(thiophen-3-yl)ethanone
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
5
Fraction Csp3
0.5
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
64.72
TPSA
32.34
LogP / Solubility
WLOGP
1.14
MLOGP
1.01
XLogP3
1.14
Consensus LogP
1.1
Log S (ESOL)
-2.21
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.41
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.45
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.41
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
Customers Also Viewed
-
![CAS 1185317-13-8 2-[(Piperidin-4-ylMethyl)-aMino]-nicotinic acid Methyl ester coMpoundwith trifluoro-acetic acid, 98+% C15H20F3N3O4, MW: 363.34 molecular structure](data:image/svg+xml,%3Csvg%20xmlns='http://www.w3.org/2000/svg'%20viewBox='0%200%200%200'%3E%3C/svg%3E)
2-[(Piperidin-4-ylMethyl)-aMino]-nicotinic acid Methyl ester coMpoundwith trifluoro-acetic acid, 98+% C15H20F3N3O4, MW: 363.34
- CAS RN: 1185317-13-8
- Product Code: starshine_CAS1185317-13-8
- Purity/Analytical method: >99.0%
-
1-Phenyl-3-(piperidin-3-ylaMino)-propan-1-one hydrochloride, 98+% C14H21ClN2O, MW: 268.79
- CAS RN: 1185317-59-2
- Product Code: starshine_CAS1185317-59-2
- Purity/Analytical method: >99.0%
-
N,N-diMethyl-4-(piperidin-4-yloxy)benzenesulfonaMide hydrochloride, 98+% C13H21ClN2O3S, MW: 320.84
- CAS RN: 1185317-97-8
- Product Code: starshine_CAS1185317-97-8
- Purity/Analytical method: >99.0%
-
2-(4-chloropiperidin-1-yl)isonicotinonitrile, 98+% C11H12ClN3, MW: 221.69
- CAS RN: 1185318-26-6
- Product Code: starshine_CAS1185318-26-6
- Purity/Analytical method: >99.0%
-
N,N-dimethyl-4-(piperazin-1-ylmethyl)benzenesulfonamide hydrochloride
- CAS RN: 1185318-30-2
- Product Code: starshine_CAS1185318-30-2
- Purity/Analytical method: >99.0%
-
(6-Chloro-pyriMidin-4-yl)-piperidin-4-yl-aMine hydrochloride, 98+% C9H14Cl2N4, MW: 249.14
- CAS RN: 1185318-56-2
- Product Code: starshine_CAS1185318-56-2
- Purity/Analytical method: >99.0%
![CAS 1185317-13-8 2-[(Piperidin-4-ylMethyl)-aMino]-nicotinic acid Methyl ester coMpoundwith trifluoro-acetic acid, 98+% C15H20F3N3O4, MW: 363.34 molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1185317-13-8.gif)
