2-(4-chloro-3,5-dimethylphenoxy)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-(4-methoxybenzyl)propanamide
TL;DR: 2-(4-chloro-3,5-dimethylphenoxy)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-(4-methoxybenzyl)propanamide (CAS 585563-40-2) is a chemical compound with molecular formula C23H28ClNO5S and molecular weight 465.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-chloro-3,5-dimethylphenoxy)-N-(1,1-dioxothiolan-3-yl)-N-[(4-methoxyphenyl)methyl]propanamide
Also Known As: 2-(4-chloro-3,5-dimethylphenoxy)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-(4-methoxybenzyl)propanamide, 2-(4-chloro-3,5-dimethylphenoxy)-N-(1,1-dioxothiolan-3-yl)-N-[(4-methoxyphenyl)methyl]propanamide
| Molecular Formula | C23H28ClNO5S |
|---|---|
| Molecular Weight | 465.14 g/mol |
| LogP | 3.94864 |
| Topological Polar Surface Area | 72.91 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 465.13766 |
| Heavy Atoms | 31 |
| Complexity | 1029.1317 |
Chemical Identifiers
| CAS Number | 585563-40-2 |
|---|---|
| SMILES | CC1=CC(=CC(=C1Cl)C)OC(C)C(=O)N(CC2=CC=C(C=C2)OC)C3CCS(=O)(=O)C3 |
Product Overview
2-(4-chloro-3,5-dimethylphenoxy)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-(4-methoxybenzyl)propanamide (CAS 585563-40-2), with molecular formula C23H28ClNO5S and molecular weight 465.14 g/mol. IUPAC: 2-(4-chloro-3,5-dimethylphenoxy)-N-(1,1-dioxothiolan-3-yl)-N-[(4-methoxyphenyl)methyl]propanamide.
Chemical Property Profile of 2-(4-chloro-3,5-dimethylphenoxy)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-(4-methoxybenzyl)propanamide
Property Insights of 2-(4-chloro-3,5-dimethylphenoxy)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-(4-methoxybenzyl)propanamide
The XLogP value of 3.94864 indicates that 2-(4-chloro-3,5-dimethylphenoxy)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-(4-methoxybenzyl)propanamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.91 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(4-chloro-3,5-dimethylphenoxy)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-(4-methoxybenzyl)propanamide. Following Lipinski's Rule of Five, 2-(4-chloro-3,5-dimethylphenoxy)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-(4-methoxybenzyl)propanamide has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-(4-chloro-3,5-dimethylphenoxy)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-(4-methoxybenzyl)propanamide?
The CAS number of 2-(4-chloro-3,5-dimethylphenoxy)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-(4-methoxybenzyl)propanamide is 585563-40-2.
What is the molecular formula of 2-(4-chloro-3,5-dimethylphenoxy)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-(4-methoxybenzyl)propanamide?
The molecular formula of 2-(4-chloro-3,5-dimethylphenoxy)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-(4-methoxybenzyl)propanamide is C23H28ClNO5S.
What is the molecular weight of 2-(4-chloro-3,5-dimethylphenoxy)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-(4-methoxybenzyl)propanamide?
The molecular weight of 2-(4-chloro-3,5-dimethylphenoxy)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-(4-methoxybenzyl)propanamide is 465.14 g/mol.
Where can I buy 2-(4-chloro-3,5-dimethylphenoxy)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-(4-methoxybenzyl)propanamide?
You can request a quote for 2-(4-chloro-3,5-dimethylphenoxy)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-(4-methoxybenzyl)propanamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(4-chloro-3,5-dimethylphenoxy)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-(4-methoxybenzyl)propanamide?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-chloro-3,5-dimethylphenoxy)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-(4-methoxybenzyl)propanamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.