Ethyl 2-[[3,5-dichloro-4-[3-[(cyclobutylmethyl)sulfonyl]-4-hydroxyphenoxy]phenyl]amino]-2-oxoacetate
TL;DR: Ethyl 2-[[3,5-dichloro-4-[3-[(cyclobutylmethyl)sulfonyl]-4-hydroxyphenoxy]phenyl]amino]-2-oxoacetate (CAS 290352-02-2) is a chemical compound with molecular formula C21H21Cl2NO7S and molecular weight 501.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[3,5-dichloro-4-[3-(cyclobutylmethylsulfonyl)-4-hydroxyphenoxy]anilino]-2-oxoacetate
Also Known As: Ethyl 2-[[3,5-dichloro-4-[3-[(cyclobutylmethyl)sulfonyl]-4-hydroxyphenoxy]phenyl]amino]-2-oxoacetate, Ethyl {3,5-dichloro-4-[3-(cyclobutylmethanesulfonyl)-4-hydroxyphenoxy]anilino}(oxo)acetate, Ethyl [3,5-dichloro-4-[3-(cyclobutylmethylsulfonyl)-4-hydroxy-phenoxy]phenyl]carbamoylformate
| Molecular Formula | C21H21Cl2NO7S |
|---|---|
| Molecular Weight | 501.04 g/mol |
| LogP | 4.5667 |
| Topological Polar Surface Area | 119.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 501.04156 |
| Heavy Atoms | 32 |
| Complexity | 1123.8274 |
Chemical Identifiers
| CAS Number | 290352-02-2 |
|---|---|
| SMILES | CCOC(=O)C(=O)NC1=CC(=C(C(=C1)Cl)OC2=CC(=C(C=C2)O)S(=O)(=O)CC3CCC3)Cl |
Product Overview
Ethyl 2-[[3,5-dichloro-4-[3-[(cyclobutylmethyl)sulfonyl]-4-hydroxyphenoxy]phenyl]amino]-2-oxoacetate (CAS 290352-02-2), with molecular formula C21H21Cl2NO7S and molecular weight 501.04 g/mol. IUPAC: ethyl 2-[3,5-dichloro-4-[3-(cyclobutylmethylsulfonyl)-4-hydroxyphenoxy]anilino]-2-oxoacetate.
Chemical Property Profile of Ethyl 2-[[3,5-dichloro-4-[3-[(cyclobutylmethyl)sulfonyl]-4-hydroxyphenoxy]phenyl]amino]-2-oxoacetate
Property Insights of Ethyl 2-[[3,5-dichloro-4-[3-[(cyclobutylmethyl)sulfonyl]-4-hydroxyphenoxy]phenyl]amino]-2-oxoacetate
The XLogP value of 4.5667 indicates that Ethyl 2-[[3,5-dichloro-4-[3-[(cyclobutylmethyl)sulfonyl]-4-hydroxyphenoxy]phenyl]amino]-2-oxoacetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 119.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 2-[[3,5-dichloro-4-[3-[(cyclobutylmethyl)sulfonyl]-4-hydroxyphenoxy]phenyl]amino]-2-oxoacetate. Following Lipinski's Rule of Five, Ethyl 2-[[3,5-dichloro-4-[3-[(cyclobutylmethyl)sulfonyl]-4-hydroxyphenoxy]phenyl]amino]-2-oxoacetate has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Ethyl 2-[[3,5-dichloro-4-[3-[(cyclobutylmethyl)sulfonyl]-4-hydroxyphenoxy]phenyl]amino]-2-oxoacetate?
The CAS number of Ethyl 2-[[3,5-dichloro-4-[3-[(cyclobutylmethyl)sulfonyl]-4-hydroxyphenoxy]phenyl]amino]-2-oxoacetate is 290352-02-2.
What is the molecular formula of Ethyl 2-[[3,5-dichloro-4-[3-[(cyclobutylmethyl)sulfonyl]-4-hydroxyphenoxy]phenyl]amino]-2-oxoacetate?
The molecular formula of Ethyl 2-[[3,5-dichloro-4-[3-[(cyclobutylmethyl)sulfonyl]-4-hydroxyphenoxy]phenyl]amino]-2-oxoacetate is C21H21Cl2NO7S.
What is the molecular weight of Ethyl 2-[[3,5-dichloro-4-[3-[(cyclobutylmethyl)sulfonyl]-4-hydroxyphenoxy]phenyl]amino]-2-oxoacetate?
The molecular weight of Ethyl 2-[[3,5-dichloro-4-[3-[(cyclobutylmethyl)sulfonyl]-4-hydroxyphenoxy]phenyl]amino]-2-oxoacetate is 501.04 g/mol.
Where can I buy Ethyl 2-[[3,5-dichloro-4-[3-[(cyclobutylmethyl)sulfonyl]-4-hydroxyphenoxy]phenyl]amino]-2-oxoacetate?
You can request a quote for Ethyl 2-[[3,5-dichloro-4-[3-[(cyclobutylmethyl)sulfonyl]-4-hydroxyphenoxy]phenyl]amino]-2-oxoacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 2-[[3,5-dichloro-4-[3-[(cyclobutylmethyl)sulfonyl]-4-hydroxyphenoxy]phenyl]amino]-2-oxoacetate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-[[3,5-dichloro-4-[3-[(cyclobutylmethyl)sulfonyl]-4-hydroxyphenoxy]phenyl]amino]-2-oxoacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.