![Ethyl 4-amino-2-[(2-oxo-1,2-diphenylethyl)sulfanyl]-5-pyrimidinecarboxylate structure](/static/products/7008/700852-95-5.webp)
Ethyl 4-amino-2-[(2-oxo-1,2-diphenylethyl)sulfanyl]-5-pyrimidinecarboxylate
TL;DR: Ethyl 4-amino-2-[(2-oxo-1,2-diphenylethyl)sulfanyl]-5-pyrimidinecarboxylate (CAS 700852-95-5) is a chemical compound with molecular formula C21H19N3O3S and molecular weight 393.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-amino-2-(2-oxo-1,2-diphenylethyl)sulfanylpyrimidine-5-carboxylate
Also Known As: ethyl 4-amino-2-[(2-oxo-1,2-diphenylethyl)sulfanyl]-5-pyrimidinecarboxylate, ethyl 4-amino-2-[(2-oxo-1,2-diphenylethyl)sulfanyl]pyrimidine-5-carboxylate, ethyl 4-amino-2-((2-oxo-1,2-diphenylethyl)thio)pyrimidine-5-carboxylate, ethyl 4-amino-2-(2-oxo-1,2-diphenylethyl)sulfanylpyrimidine-5-carboxylate, Ethyl 4-amino-2-(2-oxo-1,2-diphenyl-ethyl)sulfanyl-pyrimidine-5-carboxylate
| Molecular Formula | C21H19N3O3S |
|---|---|
| Molecular Weight | 393.11 g/mol |
| LogP | 3.9518 |
| Topological Polar Surface Area | 95.17 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 393.11472 |
| Heavy Atoms | 28 |
| Complexity | 965.14453 |
Chemical Identifiers
| CAS Number | 700852-95-5 |
|---|---|
| SMILES | CCOC(=O)C1=CN=C(N=C1N)SC(C2=CC=CC=C2)C(=O)C3=CC=CC=C3 |
Product Overview
Ethyl 4-amino-2-[(2-oxo-1,2-diphenylethyl)sulfanyl]-5-pyrimidinecarboxylate (CAS 700852-95-5), with molecular formula C21H19N3O3S and molecular weight 393.11 g/mol. IUPAC: ethyl 4-amino-2-(2-oxo-1,2-diphenylethyl)sulfanylpyrimidine-5-carboxylate.
Chemical Property Profile of Ethyl 4-amino-2-[(2-oxo-1,2-diphenylethyl)sulfanyl]-5-pyrimidinecarboxylate
Property Insights of Ethyl 4-amino-2-[(2-oxo-1,2-diphenylethyl)sulfanyl]-5-pyrimidinecarboxylate
The XLogP value of 3.9518 indicates that Ethyl 4-amino-2-[(2-oxo-1,2-diphenylethyl)sulfanyl]-5-pyrimidinecarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 95.17 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 4-amino-2-[(2-oxo-1,2-diphenylethyl)sulfanyl]-5-pyrimidinecarboxylate. Following Lipinski's Rule of Five, Ethyl 4-amino-2-[(2-oxo-1,2-diphenylethyl)sulfanyl]-5-pyrimidinecarboxylate 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-amino-2-[(2-oxo-1,2-diphenylethyl)sulfanyl]-5-pyrimidinecarboxylate?
The CAS number of Ethyl 4-amino-2-[(2-oxo-1,2-diphenylethyl)sulfanyl]-5-pyrimidinecarboxylate is 700852-95-5.
What is the molecular formula of Ethyl 4-amino-2-[(2-oxo-1,2-diphenylethyl)sulfanyl]-5-pyrimidinecarboxylate?
The molecular formula of Ethyl 4-amino-2-[(2-oxo-1,2-diphenylethyl)sulfanyl]-5-pyrimidinecarboxylate is C21H19N3O3S.
What is the molecular weight of Ethyl 4-amino-2-[(2-oxo-1,2-diphenylethyl)sulfanyl]-5-pyrimidinecarboxylate?
The molecular weight of Ethyl 4-amino-2-[(2-oxo-1,2-diphenylethyl)sulfanyl]-5-pyrimidinecarboxylate is 393.11 g/mol.
Where can I buy Ethyl 4-amino-2-[(2-oxo-1,2-diphenylethyl)sulfanyl]-5-pyrimidinecarboxylate?
You can request a quote for Ethyl 4-amino-2-[(2-oxo-1,2-diphenylethyl)sulfanyl]-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-amino-2-[(2-oxo-1,2-diphenylethyl)sulfanyl]-5-pyrimidinecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-amino-2-[(2-oxo-1,2-diphenylethyl)sulfanyl]-5-pyrimidinecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.