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CAS 1353962-93-2 Thiophene-2-carboxylic acid Methyl-piperidin-4-yl-aMide hydrochloride molecular structure lightbox
CAS RN: 1353962-93-2

Thiophene-2-carboxylic acid Methyl-piperidin-4-yl-aMide hydrochloride

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251111 100mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS1353962-93-2
  • Purity/Analytical Methods: >99.0%
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1353962-93-2 / N-methyl-N-piperidin-4-ylthiophene-2-carboxamide;hydrochloride

Standard CAS: 1353962-93-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1353962-93-2
Multi CAS
No
Molecular Formula
C11H17ClN2OS
Molecular Weight
260.780000
Exact Mass
260.075012
SMILES
CN(C1CCNCC1)C(=O)C2=CC=CS2.Cl
InChI
InChI=1S/C11H16N2OS.ClH/c1-13(9-4-6-12-7-5-9)11(14)10-3-2-8-15-10;/h2-3,8-9,12H,4-7H2,1H3;1H
InChIKey
DOZVPBPXXDSIED-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
1
Molar refractivity
69.55
TPSA
32.34

LogP / Solubility

WLOGP
1.99
MLOGP
1.76
XLogP3
1.99
Consensus LogP
1.91
Log S (ESOL)
-2.81
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.14
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.25
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)
-2.9

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5

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