![1-Benzyl-3-[(4-chlorophenyl)methylsulfanyl]indole structure](/static/products/6812/681273-98-3.webp)
1-Benzyl-3-[(4-chlorophenyl)methylsulfanyl]indole
TL;DR: 1-Benzyl-3-[(4-chlorophenyl)methylsulfanyl]indole (CAS 681273-98-3) is a chemical compound with molecular formula C22H18ClNS and molecular weight 363.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-benzyl-3-[(4-chlorophenyl)methylsulfanyl]indole
Also Known As: 1-benzyl-3-((4-chlorobenzyl)thio)-1H-indole, 1-benzyl-3-[(4-chlorophenyl)methylsulfanyl]indole, 1-benzyl-3-{[(4-chlorophenyl)methyl]sulfanyl}-1H-indole, F0545-0073
| Molecular Formula | C22H18ClNS |
|---|---|
| Molecular Weight | 363.08 g/mol |
| LogP | 6.6353 |
| Topological Polar Surface Area | 4.93 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 5 |
| Exact Mass | 363.08484 |
| Heavy Atoms | 25 |
| Complexity | 974.02344 |
Chemical Identifiers
| CAS Number | 681273-98-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)CN2C=C(C3=CC=CC=C32)SCC4=CC=C(C=C4)Cl |
Product Overview
1-Benzyl-3-[(4-chlorophenyl)methylsulfanyl]indole (CAS 681273-98-3), with molecular formula C22H18ClNS and molecular weight 363.08 g/mol. IUPAC: 1-benzyl-3-[(4-chlorophenyl)methylsulfanyl]indole.
Chemical Property Profile of 1-Benzyl-3-[(4-chlorophenyl)methylsulfanyl]indole
Property Insights of 1-Benzyl-3-[(4-chlorophenyl)methylsulfanyl]indole
The XLogP value of 6.6353 indicates that 1-Benzyl-3-[(4-chlorophenyl)methylsulfanyl]indole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 4.93 Ų, 1-Benzyl-3-[(4-chlorophenyl)methylsulfanyl]indole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Benzyl-3-[(4-chlorophenyl)methylsulfanyl]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-Benzyl-3-[(4-chlorophenyl)methylsulfanyl]indole?
The CAS number of 1-Benzyl-3-[(4-chlorophenyl)methylsulfanyl]indole is 681273-98-3.
What is the molecular formula of 1-Benzyl-3-[(4-chlorophenyl)methylsulfanyl]indole?
The molecular formula of 1-Benzyl-3-[(4-chlorophenyl)methylsulfanyl]indole is C22H18ClNS.
What is the molecular weight of 1-Benzyl-3-[(4-chlorophenyl)methylsulfanyl]indole?
The molecular weight of 1-Benzyl-3-[(4-chlorophenyl)methylsulfanyl]indole is 363.08 g/mol.
Where can I buy 1-Benzyl-3-[(4-chlorophenyl)methylsulfanyl]indole?
You can request a quote for 1-Benzyl-3-[(4-chlorophenyl)methylsulfanyl]indole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Benzyl-3-[(4-chlorophenyl)methylsulfanyl]indole?
Yes, KEHONG BIO provides custom synthesis services for 1-Benzyl-3-[(4-chlorophenyl)methylsulfanyl]indole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.