![1-[(3-Chloro-1-benzothien-2-yl)carbonyl]-4-methylpiperidine structure](/static/products/3310/331001-53-7.webp)
1-[(3-Chloro-1-benzothien-2-yl)carbonyl]-4-methylpiperidine
TL;DR: 1-[(3-Chloro-1-benzothien-2-yl)carbonyl]-4-methylpiperidine (CAS 331001-53-7) is a chemical compound with molecular formula C15H16ClNOS and molecular weight 293.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-chloro-1-benzothiophen-2-yl)-(4-methylpiperidin-1-yl)methanone
Also Known As: BAS 00329559, BB 0244120, (3-Chlorobenzo[b]thien-2-yl)(4-methyl-1-piperidinyl)methanone, 1-[(3-chloro-1-benzothien-2-yl)carbonyl]-4-methylpiperidine, 3-chlorobenzo[b]thiophen-2-yl 4-methylpiperidyl ketone
| Molecular Formula | C15H16ClNOS |
|---|---|
| Molecular Weight | 293.06 g/mol |
| LogP | 4.4268 |
| Topological Polar Surface Area | 20.31 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 293.06412 |
| Heavy Atoms | 19 |
| Complexity | 613.6331 |
Chemical Identifiers
| CAS Number | 331001-53-7 |
|---|---|
| SMILES | CC1CCN(CC1)C(=O)C2=C(C3=CC=CC=C3S2)Cl |
Product Overview
1-[(3-Chloro-1-benzothien-2-yl)carbonyl]-4-methylpiperidine (CAS 331001-53-7), with molecular formula C15H16ClNOS and molecular weight 293.06 g/mol. IUPAC: (3-chloro-1-benzothiophen-2-yl)-(4-methylpiperidin-1-yl)methanone.
Chemical Property Profile of 1-[(3-Chloro-1-benzothien-2-yl)carbonyl]-4-methylpiperidine
Property Insights of 1-[(3-Chloro-1-benzothien-2-yl)carbonyl]-4-methylpiperidine
The XLogP value of 4.4268 indicates that 1-[(3-Chloro-1-benzothien-2-yl)carbonyl]-4-methylpiperidine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 20.31 Ų, 1-[(3-Chloro-1-benzothien-2-yl)carbonyl]-4-methylpiperidine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-[(3-Chloro-1-benzothien-2-yl)carbonyl]-4-methylpiperidine has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-[(3-Chloro-1-benzothien-2-yl)carbonyl]-4-methylpiperidine?
The CAS number of 1-[(3-Chloro-1-benzothien-2-yl)carbonyl]-4-methylpiperidine is 331001-53-7.
What is the molecular formula of 1-[(3-Chloro-1-benzothien-2-yl)carbonyl]-4-methylpiperidine?
The molecular formula of 1-[(3-Chloro-1-benzothien-2-yl)carbonyl]-4-methylpiperidine is C15H16ClNOS.
What is the molecular weight of 1-[(3-Chloro-1-benzothien-2-yl)carbonyl]-4-methylpiperidine?
The molecular weight of 1-[(3-Chloro-1-benzothien-2-yl)carbonyl]-4-methylpiperidine is 293.06 g/mol.
Where can I buy 1-[(3-Chloro-1-benzothien-2-yl)carbonyl]-4-methylpiperidine?
You can request a quote for 1-[(3-Chloro-1-benzothien-2-yl)carbonyl]-4-methylpiperidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-[(3-Chloro-1-benzothien-2-yl)carbonyl]-4-methylpiperidine?
Yes, KEHONG BIO provides custom synthesis services for 1-[(3-Chloro-1-benzothien-2-yl)carbonyl]-4-methylpiperidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.