![1-(Azepan-1-yl)-2-[1-[(2-chlorophenyl)methyl]indol-3-yl]sulfanylethanone structure](/static/products/4503/450351-15-2.webp)
1-(Azepan-1-yl)-2-[1-[(2-chlorophenyl)methyl]indol-3-yl]sulfanylethanone
TL;DR: 1-(Azepan-1-yl)-2-[1-[(2-chlorophenyl)methyl]indol-3-yl]sulfanylethanone (CAS 450351-15-2) is a chemical compound with molecular formula C23H25ClN2OS and molecular weight 412.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(azepan-1-yl)-2-[1-[(2-chlorophenyl)methyl]indol-3-yl]sulfanylethanone
Also Known As: F0545-1280, 1-(azepan-1-yl)-2-[1-[(2-chlorophenyl)methyl]indol-3-yl]sulfanylethanone, 3-[(2-azepan-1-yl-2-oxoethyl)thio]-1-(2-chlorobenzyl)-1H-indole, 1-(azepan-1-yl)-2-((1-(2-chlorobenzyl)-1H-indol-3-yl)thio)ethanone, 1-(azepan-1-yl)-2-[1-[(2-chlorophenyl)methyl]indol-3-yl]sulfanyl-ethanone
| Molecular Formula | C23H25ClN2OS |
|---|---|
| Molecular Weight | 412.14 g/mol |
| LogP | 5.8377 |
| Topological Polar Surface Area | 25.24 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 412.1376 |
| Heavy Atoms | 28 |
| Complexity | 960.1456 |
Chemical Identifiers
| CAS Number | 450351-15-2 |
|---|---|
| SMILES | C1CCCN(CC1)C(=O)CSC2=CN(C3=CC=CC=C32)CC4=CC=CC=C4Cl |
Product Overview
1-(Azepan-1-yl)-2-[1-[(2-chlorophenyl)methyl]indol-3-yl]sulfanylethanone (CAS 450351-15-2), with molecular formula C23H25ClN2OS and molecular weight 412.14 g/mol. IUPAC: 1-(azepan-1-yl)-2-[1-[(2-chlorophenyl)methyl]indol-3-yl]sulfanylethanone.
Chemical Property Profile of 1-(Azepan-1-yl)-2-[1-[(2-chlorophenyl)methyl]indol-3-yl]sulfanylethanone
Property Insights of 1-(Azepan-1-yl)-2-[1-[(2-chlorophenyl)methyl]indol-3-yl]sulfanylethanone
The XLogP value of 5.8377 indicates that 1-(Azepan-1-yl)-2-[1-[(2-chlorophenyl)methyl]indol-3-yl]sulfanylethanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 25.24 Ų, 1-(Azepan-1-yl)-2-[1-[(2-chlorophenyl)methyl]indol-3-yl]sulfanylethanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(Azepan-1-yl)-2-[1-[(2-chlorophenyl)methyl]indol-3-yl]sulfanylethanone has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-(Azepan-1-yl)-2-[1-[(2-chlorophenyl)methyl]indol-3-yl]sulfanylethanone?
The CAS number of 1-(Azepan-1-yl)-2-[1-[(2-chlorophenyl)methyl]indol-3-yl]sulfanylethanone is 450351-15-2.
What is the molecular formula of 1-(Azepan-1-yl)-2-[1-[(2-chlorophenyl)methyl]indol-3-yl]sulfanylethanone?
The molecular formula of 1-(Azepan-1-yl)-2-[1-[(2-chlorophenyl)methyl]indol-3-yl]sulfanylethanone is C23H25ClN2OS.
What is the molecular weight of 1-(Azepan-1-yl)-2-[1-[(2-chlorophenyl)methyl]indol-3-yl]sulfanylethanone?
The molecular weight of 1-(Azepan-1-yl)-2-[1-[(2-chlorophenyl)methyl]indol-3-yl]sulfanylethanone is 412.14 g/mol.
Where can I buy 1-(Azepan-1-yl)-2-[1-[(2-chlorophenyl)methyl]indol-3-yl]sulfanylethanone?
You can request a quote for 1-(Azepan-1-yl)-2-[1-[(2-chlorophenyl)methyl]indol-3-yl]sulfanylethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(Azepan-1-yl)-2-[1-[(2-chlorophenyl)methyl]indol-3-yl]sulfanylethanone?
Yes, KEHONG BIO provides custom synthesis services for 1-(Azepan-1-yl)-2-[1-[(2-chlorophenyl)methyl]indol-3-yl]sulfanylethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.