![ethyl 4-{3-[(4-chlorobenzoyl)amino]phenoxy}-2-(methylsulfanyl)-5-pyrimidinecarboxylate structure](/static/products/4780/478065-04-2.webp)
ethyl 4-{3-[(4-chlorobenzoyl)amino]phenoxy}-2-(methylsulfanyl)-5-pyrimidinecarboxylate
TL;DR: ethyl 4-{3-[(4-chlorobenzoyl)amino]phenoxy}-2-(methylsulfanyl)-5-pyrimidinecarboxylate (CAS 478065-04-2) is a chemical compound with molecular formula C21H18ClN3O4S and molecular weight 443.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[3-[(4-chlorobenzoyl)amino]phenoxy]-2-methylsulfanylpyrimidine-5-carboxylate
Also Known As: ethyl 4-{3-[(4-chlorobenzoyl)amino]phenoxy}-2-(methylsulfanyl)-5-pyrimidinecarboxylate, ethyl 4-[3-[(4-chlorobenzoyl)amino]phenoxy]-2-methylsulfanylpyrimidine-5-carboxylate, ethyl 4-[3-(4-chlorobenzamido)phenoxy]-2-(methylsulfanyl)pyrimidine-5-carboxylate, ethyl4-[3-(4-chlorobenzamido)phenoxy]-2-(methylsulfanyl)pyrimidine-5-carboxylate
| Molecular Formula | C21H18ClN3O4S |
|---|---|
| Molecular Weight | 443.07 g/mol |
| LogP | 5.0732 |
| Topological Polar Surface Area | 90.41 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 443.07065 |
| Heavy Atoms | 30 |
| Complexity | 1060.3721 |
Chemical Identifiers
| CAS Number | 478065-04-2 |
|---|---|
| SMILES | CCOC(=O)C1=CN=C(N=C1OC2=CC=CC(=C2)NC(=O)C3=CC=C(C=C3)Cl)SC |
Product Overview
ethyl 4-{3-[(4-chlorobenzoyl)amino]phenoxy}-2-(methylsulfanyl)-5-pyrimidinecarboxylate (CAS 478065-04-2), with molecular formula C21H18ClN3O4S and molecular weight 443.07 g/mol. IUPAC: ethyl 4-[3-[(4-chlorobenzoyl)amino]phenoxy]-2-methylsulfanylpyrimidine-5-carboxylate.
Chemical Property Profile of ethyl 4-{3-[(4-chlorobenzoyl)amino]phenoxy}-2-(methylsulfanyl)-5-pyrimidinecarboxylate
Property Insights of ethyl 4-{3-[(4-chlorobenzoyl)amino]phenoxy}-2-(methylsulfanyl)-5-pyrimidinecarboxylate
The XLogP value of 5.0732 indicates that ethyl 4-{3-[(4-chlorobenzoyl)amino]phenoxy}-2-(methylsulfanyl)-5-pyrimidinecarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 90.41 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 4-{3-[(4-chlorobenzoyl)amino]phenoxy}-2-(methylsulfanyl)-5-pyrimidinecarboxylate. Following Lipinski's Rule of Five, ethyl 4-{3-[(4-chlorobenzoyl)amino]phenoxy}-2-(methylsulfanyl)-5-pyrimidinecarboxylate has 1 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 4-{3-[(4-chlorobenzoyl)amino]phenoxy}-2-(methylsulfanyl)-5-pyrimidinecarboxylate?
The CAS number of ethyl 4-{3-[(4-chlorobenzoyl)amino]phenoxy}-2-(methylsulfanyl)-5-pyrimidinecarboxylate is 478065-04-2.
What is the molecular formula of ethyl 4-{3-[(4-chlorobenzoyl)amino]phenoxy}-2-(methylsulfanyl)-5-pyrimidinecarboxylate?
The molecular formula of ethyl 4-{3-[(4-chlorobenzoyl)amino]phenoxy}-2-(methylsulfanyl)-5-pyrimidinecarboxylate is C21H18ClN3O4S.
What is the molecular weight of ethyl 4-{3-[(4-chlorobenzoyl)amino]phenoxy}-2-(methylsulfanyl)-5-pyrimidinecarboxylate?
The molecular weight of ethyl 4-{3-[(4-chlorobenzoyl)amino]phenoxy}-2-(methylsulfanyl)-5-pyrimidinecarboxylate is 443.07 g/mol.
Where can I buy ethyl 4-{3-[(4-chlorobenzoyl)amino]phenoxy}-2-(methylsulfanyl)-5-pyrimidinecarboxylate?
You can request a quote for ethyl 4-{3-[(4-chlorobenzoyl)amino]phenoxy}-2-(methylsulfanyl)-5-pyrimidinecarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 4-{3-[(4-chlorobenzoyl)amino]phenoxy}-2-(methylsulfanyl)-5-pyrimidinecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 4-{3-[(4-chlorobenzoyl)amino]phenoxy}-2-(methylsulfanyl)-5-pyrimidinecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.