CAS RN: 1289387-43-4
(3-Methyl-piperazin-1-yl)-(3-methyl-thiophen-2-yl)-methanone 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.20260512 | 100mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1289387-43-4
- Purity/Analytical Methods: >99.0%
1289387-43-4 / (3-methylpiperazin-1-yl)-(3-methylthiophen-2-yl)methanone;hydrochloride
Basic Information
CAS
1289387-43-4
Multi CAS
No
Molecular Formula
C11H17ClN2OS
Molecular Weight
260.780000
Exact Mass
260.075012
SMILES
CC1CN(CCN1)C(=O)C2=C(C=CS2)C.Cl
InChI
InChI=1S/C11H16N2OS.ClH/c1-8-3-6-15-10(8)11(14)13-5-4-12-9(2)7-13;/h3,6,9,12H,4-5,7H2,1-2H3;1H
InChIKey
FAXKORNILIQFML-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
5
Fraction Csp3
0.55
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
69.67
TPSA
32.34
LogP / Solubility
WLOGP
1.91
MLOGP
1.69
XLogP3
1.91
Consensus LogP
1.84
Log S (ESOL)
-2.83
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.08
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.06
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)
-2.95
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2
Customers Also Viewed
-
2-(4-MethylaMino-piperidin-1-ylMethyl)-benzonitrile hydrochloride
- CAS RN: 1289387-45-6
- Product Code: starshine_CAS1289387-45-6
- Purity/Analytical method: >99.0%
-
tert-butyl 2-(chloromethyl)piperidine-1-carboxylate
- CAS RN: 1289387-67-2
- Product Code: starshine_CAS1289387-67-2
- Purity/Analytical method: >99.0%
-
-
-
3-(4-Chloro-phenylsulfanylmethyl)-piperidine-1-carboxylic acid tert-butyl ester
- CAS RN: 1289388-17-5
- Product Code: SSC-036150
-
2-[(1-Pyridin-2-yl-ethylaMino)-Methyl]-pyrrolidine-1-carboxylic acid tert-butyl ester
- CAS RN: 1289388-55-1
- Product Code: starshine_CAS1289388-55-1
- Purity/Analytical method: >99.0%
![CAS 1289388-55-1 2-[(1-Pyridin-2-yl-ethylaMino)-Methyl]-pyrrolidine-1-carboxylic acid tert-butyl ester molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB42578707.gif)