1-(4-(3,4-Dichloro-benzyloxy)-phenyl)-2-M-tolylsulfanyl-ethanone
TL;DR: 1-(4-(3,4-Dichloro-benzyloxy)-phenyl)-2-M-tolylsulfanyl-ethanone (CAS 331461-96-2) is a chemical compound with molecular formula C22H18Cl2O2S and molecular weight 416.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[4-[(3,4-dichlorophenyl)methoxy]phenyl]-2-(3-methylphenyl)sulfanylethanone
Also Known As: 1-(4-(3,4-DICHLORO-BENZYLOXY)-PHENYL)-2-M-TOLYLSULFANYL-ETHANONE, 1-[4-[(3,4-dichlorophenyl)methoxy]phenyl]-2-(3-methylphenyl)sulfanylethanone, 1-{4-[(3,4-dichlorophenyl)methoxy]phenyl}-2-[(3-methylphenyl)sulfanyl]ethan-1-one, 1-{4-[(3,4-dichlorobenzyl)oxy]phenyl}-2-[(3-methylphenyl)sulfanyl]-1-ethanone, 1-{4-[(3,4-dichlorophenyl)methoxy]phenyl}-2-(3-methylphenylthio)ethan-1-one
| Molecular Formula | C22H18Cl2O2S |
|---|---|
| Molecular Weight | 416.04 g/mol |
| LogP | 6.85582 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 416.04047 |
| Heavy Atoms | 27 |
| Complexity | 939.2977 |
Chemical Identifiers
| CAS Number | 331461-96-2 |
|---|---|
| SMILES | CC1=CC(=CC=C1)SCC(=O)C2=CC=C(C=C2)OCC3=CC(=C(C=C3)Cl)Cl |
Product Overview
1-(4-(3,4-Dichloro-benzyloxy)-phenyl)-2-M-tolylsulfanyl-ethanone (CAS 331461-96-2), with molecular formula C22H18Cl2O2S and molecular weight 416.04 g/mol. IUPAC: 1-[4-[(3,4-dichlorophenyl)methoxy]phenyl]-2-(3-methylphenyl)sulfanylethanone.
Chemical Property Profile of 1-(4-(3,4-Dichloro-benzyloxy)-phenyl)-2-M-tolylsulfanyl-ethanone
Property Insights of 1-(4-(3,4-Dichloro-benzyloxy)-phenyl)-2-M-tolylsulfanyl-ethanone
The XLogP value of 6.85582 indicates that 1-(4-(3,4-Dichloro-benzyloxy)-phenyl)-2-M-tolylsulfanyl-ethanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, 1-(4-(3,4-Dichloro-benzyloxy)-phenyl)-2-M-tolylsulfanyl-ethanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(4-(3,4-Dichloro-benzyloxy)-phenyl)-2-M-tolylsulfanyl-ethanone 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-(4-(3,4-Dichloro-benzyloxy)-phenyl)-2-M-tolylsulfanyl-ethanone?
The CAS number of 1-(4-(3,4-Dichloro-benzyloxy)-phenyl)-2-M-tolylsulfanyl-ethanone is 331461-96-2.
What is the molecular formula of 1-(4-(3,4-Dichloro-benzyloxy)-phenyl)-2-M-tolylsulfanyl-ethanone?
The molecular formula of 1-(4-(3,4-Dichloro-benzyloxy)-phenyl)-2-M-tolylsulfanyl-ethanone is C22H18Cl2O2S.
What is the molecular weight of 1-(4-(3,4-Dichloro-benzyloxy)-phenyl)-2-M-tolylsulfanyl-ethanone?
The molecular weight of 1-(4-(3,4-Dichloro-benzyloxy)-phenyl)-2-M-tolylsulfanyl-ethanone is 416.04 g/mol.
Where can I buy 1-(4-(3,4-Dichloro-benzyloxy)-phenyl)-2-M-tolylsulfanyl-ethanone?
You can request a quote for 1-(4-(3,4-Dichloro-benzyloxy)-phenyl)-2-M-tolylsulfanyl-ethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(4-(3,4-Dichloro-benzyloxy)-phenyl)-2-M-tolylsulfanyl-ethanone?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-(3,4-Dichloro-benzyloxy)-phenyl)-2-M-tolylsulfanyl-ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.