![1-(4-chlorobenzyl)-3-[(4-methyl-1-piperidinyl)carbothioyl]-1H-indole structure](/static/products/4319/431996-54-2.webp)
1-(4-chlorobenzyl)-3-[(4-methyl-1-piperidinyl)carbothioyl]-1H-indole
TL;DR: 1-(4-chlorobenzyl)-3-[(4-methyl-1-piperidinyl)carbothioyl]-1H-indole (CAS 431996-54-2) is a chemical compound with molecular formula C22H23ClN2S and molecular weight 382.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[1-[(4-chlorophenyl)methyl]indol-3-yl]-(4-methylpiperidin-1-yl)methanethione
Also Known As: AN-023/40917107, 1-(4-chlorobenzyl)-3-[(4-methyl-1-piperidinyl)carbothioyl]-1H-indole, [1-[(4-Chlorophenyl)methyl]-1H-indol-3-yl](4-methyl-1-piperidinyl)methanethione, [1-[(4-chlorophenyl)methyl]indol-3-yl]-(4-methylpiperidin-1-yl)methanethione, [1-(4-chlorobenzyl)-1H-indol-3-yl](4-methylpiperidin-1-yl)methanethione
| Molecular Formula | C22H23ClN2S |
|---|---|
| Molecular Weight | 382.13 g/mol |
| LogP | 5.7504 |
| Topological Polar Surface Area | 8.17 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 382.12704 |
| Heavy Atoms | 26 |
| Complexity | 920.97015 |
Chemical Identifiers
| CAS Number | 431996-54-2 |
|---|---|
| SMILES | CC1CCN(CC1)C(=S)C2=CN(C3=CC=CC=C32)CC4=CC=C(C=C4)Cl |
Product Overview
1-(4-chlorobenzyl)-3-[(4-methyl-1-piperidinyl)carbothioyl]-1H-indole (CAS 431996-54-2), with molecular formula C22H23ClN2S and molecular weight 382.13 g/mol. IUPAC: [1-[(4-chlorophenyl)methyl]indol-3-yl]-(4-methylpiperidin-1-yl)methanethione.
Chemical Property Profile of 1-(4-chlorobenzyl)-3-[(4-methyl-1-piperidinyl)carbothioyl]-1H-indole
Property Insights of 1-(4-chlorobenzyl)-3-[(4-methyl-1-piperidinyl)carbothioyl]-1H-indole
The XLogP value of 5.7504 indicates that 1-(4-chlorobenzyl)-3-[(4-methyl-1-piperidinyl)carbothioyl]-1H-indole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 8.17 Ų, 1-(4-chlorobenzyl)-3-[(4-methyl-1-piperidinyl)carbothioyl]-1H-indole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(4-chlorobenzyl)-3-[(4-methyl-1-piperidinyl)carbothioyl]-1H-indole has 0 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-(4-chlorobenzyl)-3-[(4-methyl-1-piperidinyl)carbothioyl]-1H-indole?
The CAS number of 1-(4-chlorobenzyl)-3-[(4-methyl-1-piperidinyl)carbothioyl]-1H-indole is 431996-54-2.
What is the molecular formula of 1-(4-chlorobenzyl)-3-[(4-methyl-1-piperidinyl)carbothioyl]-1H-indole?
The molecular formula of 1-(4-chlorobenzyl)-3-[(4-methyl-1-piperidinyl)carbothioyl]-1H-indole is C22H23ClN2S.
What is the molecular weight of 1-(4-chlorobenzyl)-3-[(4-methyl-1-piperidinyl)carbothioyl]-1H-indole?
The molecular weight of 1-(4-chlorobenzyl)-3-[(4-methyl-1-piperidinyl)carbothioyl]-1H-indole is 382.13 g/mol.
Where can I buy 1-(4-chlorobenzyl)-3-[(4-methyl-1-piperidinyl)carbothioyl]-1H-indole?
You can request a quote for 1-(4-chlorobenzyl)-3-[(4-methyl-1-piperidinyl)carbothioyl]-1H-indole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(4-chlorobenzyl)-3-[(4-methyl-1-piperidinyl)carbothioyl]-1H-indole?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-chlorobenzyl)-3-[(4-methyl-1-piperidinyl)carbothioyl]-1H-indole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.