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Ethyl 4-[(4-acetylphenyl)amino]-2-(methylsulfanyl)pyrimidine-5-carboxylate
TL;DR: Ethyl 4-[(4-acetylphenyl)amino]-2-(methylsulfanyl)pyrimidine-5-carboxylate (CAS 679826-50-7) is a chemical compound with molecular formula C16H17N3O3S and molecular weight 331.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-(4-acetylanilino)-2-methylsulfanylpyrimidine-5-carboxylate
Also Known As: ASN 13120317, ethyl 4-(4-acetylanilino)-2-methylsulfanylpyrimidine-5-carboxylate, ethyl 4-[(4-acetylphenyl)amino]-2-(methylsulfanyl)pyrimidine-5-carboxylate
| Molecular Formula | C16H17N3O3S |
|---|---|
| Molecular Weight | 331.10 g/mol |
| LogP | 3.3214 |
| Topological Polar Surface Area | 81.18 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 331.09906 |
| Heavy Atoms | 23 |
| Complexity | 717.01044 |
Chemical Identifiers
| CAS Number | 679826-50-7 |
|---|---|
| SMILES | CCOC(=O)C1=CN=C(N=C1NC2=CC=C(C=C2)C(=O)C)SC |
Product Overview
Ethyl 4-[(4-acetylphenyl)amino]-2-(methylsulfanyl)pyrimidine-5-carboxylate (CAS 679826-50-7), with molecular formula C16H17N3O3S and molecular weight 331.10 g/mol. IUPAC: ethyl 4-(4-acetylanilino)-2-methylsulfanylpyrimidine-5-carboxylate.
Chemical Property Profile of Ethyl 4-[(4-acetylphenyl)amino]-2-(methylsulfanyl)pyrimidine-5-carboxylate
Property Insights of Ethyl 4-[(4-acetylphenyl)amino]-2-(methylsulfanyl)pyrimidine-5-carboxylate
The XLogP value of 3.3214 indicates that Ethyl 4-[(4-acetylphenyl)amino]-2-(methylsulfanyl)pyrimidine-5-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.18 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 4-[(4-acetylphenyl)amino]-2-(methylsulfanyl)pyrimidine-5-carboxylate. Following Lipinski's Rule of Five, Ethyl 4-[(4-acetylphenyl)amino]-2-(methylsulfanyl)pyrimidine-5-carboxylate has 1 hydrogen bond donor(s) and 7 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 Ethyl 4-[(4-acetylphenyl)amino]-2-(methylsulfanyl)pyrimidine-5-carboxylate?
The CAS number of Ethyl 4-[(4-acetylphenyl)amino]-2-(methylsulfanyl)pyrimidine-5-carboxylate is 679826-50-7.
What is the molecular formula of Ethyl 4-[(4-acetylphenyl)amino]-2-(methylsulfanyl)pyrimidine-5-carboxylate?
The molecular formula of Ethyl 4-[(4-acetylphenyl)amino]-2-(methylsulfanyl)pyrimidine-5-carboxylate is C16H17N3O3S.
What is the molecular weight of Ethyl 4-[(4-acetylphenyl)amino]-2-(methylsulfanyl)pyrimidine-5-carboxylate?
The molecular weight of Ethyl 4-[(4-acetylphenyl)amino]-2-(methylsulfanyl)pyrimidine-5-carboxylate is 331.10 g/mol.
Where can I buy Ethyl 4-[(4-acetylphenyl)amino]-2-(methylsulfanyl)pyrimidine-5-carboxylate?
You can request a quote for Ethyl 4-[(4-acetylphenyl)amino]-2-(methylsulfanyl)pyrimidine-5-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 4-[(4-acetylphenyl)amino]-2-(methylsulfanyl)pyrimidine-5-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-[(4-acetylphenyl)amino]-2-(methylsulfanyl)pyrimidine-5-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.