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CAS RN: 1353987-25-3
3-Methyl-thiophene-2-carboxylic acid piperidin-3-ylamide 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.20260221 | 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1353987-25-3
- Purity/Analytical Methods: >99.0%
1353987-25-3 / 3-methyl-N-piperidin-3-ylthiophene-2-carboxamide;hydrochloride
Basic Information
CAS
1353987-25-3
Multi CAS
No
Molecular Formula
C11H17ClN2OS
Molecular Weight
260.780000
Exact Mass
260.075012
SMILES
CC1=C(SC=C1)C(=O)NC2CCCNC2.Cl
InChI
InChI=1S/C11H16N2OS.ClH/c1-8-4-6-15-10(8)11(14)13-9-3-2-5-12-7-9;/h4,6,9,12H,2-3,5,7H2,1H3,(H,13,14);1H
InChIKey
DYTYGFNIPDMBQQ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
5
Fraction Csp3
0.55
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
2
Molar refractivity
69.66
TPSA
41.13
LogP / Solubility
WLOGP
1.96
MLOGP
1.73
XLogP3
1.96
Consensus LogP
1.88
Log S (ESOL)
-2.79
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.11
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.22
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)
-2.92
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2
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![CAS 1353989-77-1 [1-(6-Methoxy-pyriMidin-4-yl)-piperidin-3-yl]-Methanol molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB02577449(1).gif)
![CAS 1353989-78-2 [1-(6-Ethoxy-pyriMidin-4-yl)-piperidin-2-ylMethyl]-carbaMic acid tert-butyl ester molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB02577429(1).gif)
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