[email protected]
CAS 1353985-79-1 3-Methyl-thiophene-2-carboxylic acid Methyl-piperidin-4-yl-aMide hydrochloride molecular structure lightbox
CAS RN: 1353985-79-1

3-Methyl-thiophene-2-carboxylic acid Methyl-piperidin-4-yl-aMide hydrochloride

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250205 100mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS1353985-79-1
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

1353985-79-1 / N,3-dimethyl-N-piperidin-4-ylthiophene-2-carboxamide;hydrochloride

Standard CAS: 1353985-79-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1353985-79-1
Multi CAS
No
Molecular Formula
C12H19ClN2OS
Molecular Weight
274.810000
Exact Mass
274.090662
SMILES
CC1=C(SC=C1)C(=O)N(C)C2CCNCC2.Cl
InChI
InChI=1S/C12H18N2OS.ClH/c1-9-5-8-16-11(9)12(15)14(2)10-3-6-13-7-4-10;/h5,8,10,13H,3-4,6-7H2,1-2H3;1H
InChIKey
NKNIPPYYRBJCKT-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
5
Fraction Csp3
0.58
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
74.29
TPSA
32.34

LogP / Solubility

WLOGP
2.3
MLOGP
2.04
XLogP3
2.3
Consensus LogP
2.21
Log S (ESOL)
-3.08
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.48
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.6
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)
-2.76

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

Get In Touch

Contact Us