![1-({5-Chloro-2-[(4-chlorophenoxy)methyl]-1-benzothiophen-3-yl}methyl)piperidine structure](/static/products/4044/40448-99-5.webp)
1-({5-Chloro-2-[(4-chlorophenoxy)methyl]-1-benzothiophen-3-yl}methyl)piperidine
TL;DR: 1-({5-Chloro-2-[(4-chlorophenoxy)methyl]-1-benzothiophen-3-yl}methyl)piperidine (CAS 40448-99-5) is a chemical compound with molecular formula C21H21Cl2NOS and molecular weight 405.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[[5-chloro-2-[(4-chlorophenoxy)methyl]-1-benzothiophen-3-yl]methyl]piperidine
Also Known As: 1-({5-Chloro-2-[(4-chlorophenoxy)methyl]-1-benzothiophen-3-yl}methyl)piperidine, 1-[[5-chloro-2-[(4-chlorophenoxy)methyl]-1-benzothiophen-3-yl]methyl]piperidine
| Molecular Formula | C21H21Cl2NOS |
|---|---|
| Molecular Weight | 405.07 g/mol |
| LogP | 6.4 |
| Topological Polar Surface Area | 40.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 405.07208 |
| Heavy Atoms | 26 |
| Complexity | 440.0 |
Chemical Identifiers
| CAS Number | 40448-99-5 |
|---|---|
| SMILES | C1CCN(CC1)CC2=C(SC3=C2C=C(C=C3)Cl)COC4=CC=C(C=C4)Cl |
| InChIKey | PVYJPUZGHFLHFQ-UHFFFAOYSA-N |
Product Overview
1-({5-Chloro-2-[(4-chlorophenoxy)methyl]-1-benzothiophen-3-yl}methyl)piperidine (CAS 40448-99-5), with molecular formula C21H21Cl2NOS and molecular weight 405.07 g/mol. IUPAC: 1-[[5-chloro-2-[(4-chlorophenoxy)methyl]-1-benzothiophen-3-yl]methyl]piperidine.
Chemical Property Profile of 1-({5-Chloro-2-[(4-chlorophenoxy)methyl]-1-benzothiophen-3-yl}methyl)piperidine
Property Insights of 1-({5-Chloro-2-[(4-chlorophenoxy)methyl]-1-benzothiophen-3-yl}methyl)piperidine
The XLogP value of 6.4 indicates that 1-({5-Chloro-2-[(4-chlorophenoxy)methyl]-1-benzothiophen-3-yl}methyl)piperidine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 40.7 Ų, 1-({5-Chloro-2-[(4-chlorophenoxy)methyl]-1-benzothiophen-3-yl}methyl)piperidine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-({5-Chloro-2-[(4-chlorophenoxy)methyl]-1-benzothiophen-3-yl}methyl)piperidine has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-({5-Chloro-2-[(4-chlorophenoxy)methyl]-1-benzothiophen-3-yl}methyl)piperidine?
The CAS number of 1-({5-Chloro-2-[(4-chlorophenoxy)methyl]-1-benzothiophen-3-yl}methyl)piperidine is 40448-99-5.
What is the molecular formula of 1-({5-Chloro-2-[(4-chlorophenoxy)methyl]-1-benzothiophen-3-yl}methyl)piperidine?
The molecular formula of 1-({5-Chloro-2-[(4-chlorophenoxy)methyl]-1-benzothiophen-3-yl}methyl)piperidine is C21H21Cl2NOS.
What is the molecular weight of 1-({5-Chloro-2-[(4-chlorophenoxy)methyl]-1-benzothiophen-3-yl}methyl)piperidine?
The molecular weight of 1-({5-Chloro-2-[(4-chlorophenoxy)methyl]-1-benzothiophen-3-yl}methyl)piperidine is 405.07 g/mol.
Where can I buy 1-({5-Chloro-2-[(4-chlorophenoxy)methyl]-1-benzothiophen-3-yl}methyl)piperidine?
You can request a quote for 1-({5-Chloro-2-[(4-chlorophenoxy)methyl]-1-benzothiophen-3-yl}methyl)piperidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-({5-Chloro-2-[(4-chlorophenoxy)methyl]-1-benzothiophen-3-yl}methyl)piperidine?
Yes, KEHONG BIO provides custom synthesis services for 1-({5-Chloro-2-[(4-chlorophenoxy)methyl]-1-benzothiophen-3-yl}methyl)piperidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.