3-(4-((3,4-Dichlorobenzyl)thio)anilino)-1-(4-methoxyphenyl)-1-propanone
TL;DR: 3-(4-((3,4-Dichlorobenzyl)thio)anilino)-1-(4-methoxyphenyl)-1-propanone (CAS 1016899-93-6) is a chemical compound with molecular formula C23H21Cl2NO2S and molecular weight 445.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[4-[(3,4-dichlorophenyl)methylsulfanyl]anilino]-1-(4-methoxyphenyl)propan-1-one
Also Known As: Cyclo(Hpro-Leu), 3-{4-[(3,4-dichlorobenzyl)sulfanyl]anilino}-1-(4-methoxyphenyl)-1-propanone, 3-[4-[(3,4-dichlorophenyl)methylsulfanyl]anilino]-1-(4-methoxyphenyl)propan-1-one, 3-((4-((3,4-Dichlorobenzyl)thio)phenyl)amino)-1-(4-methoxyphenyl)propan-1-one, 3-(4-((3,4-Dichlorobenzyl)thio)anilino)-1-(4-methoxyphenyl)-1-propanone
| Molecular Formula | C23H21Cl2NO2S |
|---|---|
| Molecular Weight | 445.07 g/mol |
| LogP | 6.9792 |
| Topological Polar Surface Area | 38.33 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 9 |
| Exact Mass | 445.06702 |
| Heavy Atoms | 29 |
| Complexity | 959.61676 |
Chemical Identifiers
| CAS Number | 1016899-93-6 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C(=O)CCNC2=CC=C(C=C2)SCC3=CC(=C(C=C3)Cl)Cl |
Product Overview
3-(4-((3,4-Dichlorobenzyl)thio)anilino)-1-(4-methoxyphenyl)-1-propanone (CAS 1016899-93-6), with molecular formula C23H21Cl2NO2S and molecular weight 445.07 g/mol. IUPAC: 3-[4-[(3,4-dichlorophenyl)methylsulfanyl]anilino]-1-(4-methoxyphenyl)propan-1-one.
Chemical Property Profile of 3-(4-((3,4-Dichlorobenzyl)thio)anilino)-1-(4-methoxyphenyl)-1-propanone
Property Insights of 3-(4-((3,4-Dichlorobenzyl)thio)anilino)-1-(4-methoxyphenyl)-1-propanone
The XLogP value of 6.9792 indicates that 3-(4-((3,4-Dichlorobenzyl)thio)anilino)-1-(4-methoxyphenyl)-1-propanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.33 Ų, 3-(4-((3,4-Dichlorobenzyl)thio)anilino)-1-(4-methoxyphenyl)-1-propanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(4-((3,4-Dichlorobenzyl)thio)anilino)-1-(4-methoxyphenyl)-1-propanone has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-(4-((3,4-Dichlorobenzyl)thio)anilino)-1-(4-methoxyphenyl)-1-propanone?
The CAS number of 3-(4-((3,4-Dichlorobenzyl)thio)anilino)-1-(4-methoxyphenyl)-1-propanone is 1016899-93-6.
What is the molecular formula of 3-(4-((3,4-Dichlorobenzyl)thio)anilino)-1-(4-methoxyphenyl)-1-propanone?
The molecular formula of 3-(4-((3,4-Dichlorobenzyl)thio)anilino)-1-(4-methoxyphenyl)-1-propanone is C23H21Cl2NO2S.
What is the molecular weight of 3-(4-((3,4-Dichlorobenzyl)thio)anilino)-1-(4-methoxyphenyl)-1-propanone?
The molecular weight of 3-(4-((3,4-Dichlorobenzyl)thio)anilino)-1-(4-methoxyphenyl)-1-propanone is 445.07 g/mol.
Where can I buy 3-(4-((3,4-Dichlorobenzyl)thio)anilino)-1-(4-methoxyphenyl)-1-propanone?
You can request a quote for 3-(4-((3,4-Dichlorobenzyl)thio)anilino)-1-(4-methoxyphenyl)-1-propanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(4-((3,4-Dichlorobenzyl)thio)anilino)-1-(4-methoxyphenyl)-1-propanone?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-((3,4-Dichlorobenzyl)thio)anilino)-1-(4-methoxyphenyl)-1-propanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.