ethyl 4-(2-((6-amino-4-oxo-1-phenyl-1,4-dihydropyrimidin-2-yl)thio)propanamido)benzoate
TL;DR: ethyl 4-(2-((6-amino-4-oxo-1-phenyl-1,4-dihydropyrimidin-2-yl)thio)propanamido)benzoate (CAS 708281-66-7) is a chemical compound with molecular formula C22H22N4O4S and molecular weight 438.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[2-(6-amino-4-oxo-1-phenylpyrimidin-2-yl)sulfanylpropanoylamino]benzoate
Also Known As: ethyl 4-(2-((6-amino-4-oxo-1-phenyl-1,4-dihydropyrimidin-2-yl)thio)propanamido)benzoate, ethyl 4-[2-(6-amino-4-oxo-1-phenylpyrimidin-2-yl)sulfanylpropanoylamino]benzoate, ETHYL 4-({2-[(6-AMINO-4-OXO-1-PHENYL-1,4-DIHYDRO-2-PYRIMIDINYL)SULFANYL]PROPANOYL}AMINO)BENZOATE, ethyl 4-({2-[(6-amino-4-oxo-1-phenyl-1,4-dihydropyrimidin-2-yl)sulfanyl]propanoyl}amino)benzoate
| Molecular Formula | C22H22N4O4S |
|---|---|
| Molecular Weight | 438.14 g/mol |
| LogP | 3.1107 |
| Topological Polar Surface Area | 116.31 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 438.13617 |
| Heavy Atoms | 31 |
| Complexity | 1130.4979 |
Chemical Identifiers
| CAS Number | 708281-66-7 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)NC(=O)C(C)SC2=NC(=O)C=C(N2C3=CC=CC=C3)N |
Product Overview
ethyl 4-(2-((6-amino-4-oxo-1-phenyl-1,4-dihydropyrimidin-2-yl)thio)propanamido)benzoate (CAS 708281-66-7), with molecular formula C22H22N4O4S and molecular weight 438.14 g/mol. IUPAC: ethyl 4-[2-(6-amino-4-oxo-1-phenylpyrimidin-2-yl)sulfanylpropanoylamino]benzoate.
Chemical Property Profile of ethyl 4-(2-((6-amino-4-oxo-1-phenyl-1,4-dihydropyrimidin-2-yl)thio)propanamido)benzoate
Property Insights of ethyl 4-(2-((6-amino-4-oxo-1-phenyl-1,4-dihydropyrimidin-2-yl)thio)propanamido)benzoate
The XLogP value of 3.1107 indicates that ethyl 4-(2-((6-amino-4-oxo-1-phenyl-1,4-dihydropyrimidin-2-yl)thio)propanamido)benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 116.31 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 4-(2-((6-amino-4-oxo-1-phenyl-1,4-dihydropyrimidin-2-yl)thio)propanamido)benzoate. Following Lipinski's Rule of Five, ethyl 4-(2-((6-amino-4-oxo-1-phenyl-1,4-dihydropyrimidin-2-yl)thio)propanamido)benzoate has 2 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-(2-((6-amino-4-oxo-1-phenyl-1,4-dihydropyrimidin-2-yl)thio)propanamido)benzoate?
The CAS number of ethyl 4-(2-((6-amino-4-oxo-1-phenyl-1,4-dihydropyrimidin-2-yl)thio)propanamido)benzoate is 708281-66-7.
What is the molecular formula of ethyl 4-(2-((6-amino-4-oxo-1-phenyl-1,4-dihydropyrimidin-2-yl)thio)propanamido)benzoate?
The molecular formula of ethyl 4-(2-((6-amino-4-oxo-1-phenyl-1,4-dihydropyrimidin-2-yl)thio)propanamido)benzoate is C22H22N4O4S.
What is the molecular weight of ethyl 4-(2-((6-amino-4-oxo-1-phenyl-1,4-dihydropyrimidin-2-yl)thio)propanamido)benzoate?
The molecular weight of ethyl 4-(2-((6-amino-4-oxo-1-phenyl-1,4-dihydropyrimidin-2-yl)thio)propanamido)benzoate is 438.14 g/mol.
Where can I buy ethyl 4-(2-((6-amino-4-oxo-1-phenyl-1,4-dihydropyrimidin-2-yl)thio)propanamido)benzoate?
You can request a quote for ethyl 4-(2-((6-amino-4-oxo-1-phenyl-1,4-dihydropyrimidin-2-yl)thio)propanamido)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 4-(2-((6-amino-4-oxo-1-phenyl-1,4-dihydropyrimidin-2-yl)thio)propanamido)benzoate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 4-(2-((6-amino-4-oxo-1-phenyl-1,4-dihydropyrimidin-2-yl)thio)propanamido)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.