![ethyl 4-[(2-{[6-amino-4-oxo-1-(prop-2-en-1-yl)-1,4-dihydropyrimidin-2-yl]sulfanyl}propanoyl)amino]benzoate structure](/static/products/7090/709004-42-2.webp)
ethyl 4-[(2-{[6-amino-4-oxo-1-(prop-2-en-1-yl)-1,4-dihydropyrimidin-2-yl]sulfanyl}propanoyl)amino]benzoate
TL;DR: ethyl 4-[(2-{[6-amino-4-oxo-1-(prop-2-en-1-yl)-1,4-dihydropyrimidin-2-yl]sulfanyl}propanoyl)amino]benzoate (CAS 709004-42-2) is a chemical compound with molecular formula C19H22N4O4S and molecular weight 402.14 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-prop-2-enylpyrimidin-2-yl)sulfanylpropanoylamino]benzoate
Also Known As: ethyl 4-[(2-{[6-amino-4-oxo-1-(prop-2-en-1-yl)-1,4-dihydropyrimidin-2-yl]sulfanyl}propanoyl)amino]benzoate, ethyl 4-(2-((1-allyl-6-amino-4-oxo-1,4-dihydropyrimidin-2-yl)thio)propanamido)benzoate, ethyl 4-[2-(6-amino-4-oxo-1-prop-2-enylpyrimidin-2-yl)sulfanylpropanoylamino]benzoate, ETHYL 4-({2-[(1-ALLYL-6-AMINO-4-OXO-1,4-DIHYDRO-2-PYRIMIDINYL)SULFANYL]PROPANOYL}AMINO)BENZOATE, ethyl 4-({2-[(1-allyl-6-amino-4-oxo-1,4-dihydropyrimidin-2-yl)thio]propanoyl}amino)benzoate
| Molecular Formula | C19H22N4O4S |
|---|---|
| Molecular Weight | 402.14 g/mol |
| LogP | 2.3075 |
| Topological Polar Surface Area | 116.31 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 402.13617 |
| Heavy Atoms | 28 |
| Complexity | 924.5211 |
Chemical Identifiers
| CAS Number | 709004-42-2 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)NC(=O)C(C)SC2=NC(=O)C=C(N2CC=C)N |
Product Overview
ethyl 4-[(2-{[6-amino-4-oxo-1-(prop-2-en-1-yl)-1,4-dihydropyrimidin-2-yl]sulfanyl}propanoyl)amino]benzoate (CAS 709004-42-2), with molecular formula C19H22N4O4S and molecular weight 402.14 g/mol. IUPAC: ethyl 4-[2-(6-amino-4-oxo-1-prop-2-enylpyrimidin-2-yl)sulfanylpropanoylamino]benzoate.
Chemical Property Profile of ethyl 4-[(2-{[6-amino-4-oxo-1-(prop-2-en-1-yl)-1,4-dihydropyrimidin-2-yl]sulfanyl}propanoyl)amino]benzoate
Property Insights of ethyl 4-[(2-{[6-amino-4-oxo-1-(prop-2-en-1-yl)-1,4-dihydropyrimidin-2-yl]sulfanyl}propanoyl)amino]benzoate
The XLogP value of 2.3075 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 4-[(2-{[6-amino-4-oxo-1-(prop-2-en-1-yl)-1,4-dihydropyrimidin-2-yl]sulfanyl}propanoyl)amino]benzoate. 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-(prop-2-en-1-yl)-1,4-dihydropyrimidin-2-yl]sulfanyl}propanoyl)amino]benzoate. Following Lipinski's Rule of Five, ethyl 4-[(2-{[6-amino-4-oxo-1-(prop-2-en-1-yl)-1,4-dihydropyrimidin-2-yl]sulfanyl}propanoyl)amino]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-(prop-2-en-1-yl)-1,4-dihydropyrimidin-2-yl]sulfanyl}propanoyl)amino]benzoate?
The CAS number of ethyl 4-[(2-{[6-amino-4-oxo-1-(prop-2-en-1-yl)-1,4-dihydropyrimidin-2-yl]sulfanyl}propanoyl)amino]benzoate is 709004-42-2.
What is the molecular formula of ethyl 4-[(2-{[6-amino-4-oxo-1-(prop-2-en-1-yl)-1,4-dihydropyrimidin-2-yl]sulfanyl}propanoyl)amino]benzoate?
The molecular formula of ethyl 4-[(2-{[6-amino-4-oxo-1-(prop-2-en-1-yl)-1,4-dihydropyrimidin-2-yl]sulfanyl}propanoyl)amino]benzoate is C19H22N4O4S.
What is the molecular weight of ethyl 4-[(2-{[6-amino-4-oxo-1-(prop-2-en-1-yl)-1,4-dihydropyrimidin-2-yl]sulfanyl}propanoyl)amino]benzoate?
The molecular weight of ethyl 4-[(2-{[6-amino-4-oxo-1-(prop-2-en-1-yl)-1,4-dihydropyrimidin-2-yl]sulfanyl}propanoyl)amino]benzoate is 402.14 g/mol.
Where can I buy ethyl 4-[(2-{[6-amino-4-oxo-1-(prop-2-en-1-yl)-1,4-dihydropyrimidin-2-yl]sulfanyl}propanoyl)amino]benzoate?
You can request a quote for ethyl 4-[(2-{[6-amino-4-oxo-1-(prop-2-en-1-yl)-1,4-dihydropyrimidin-2-yl]sulfanyl}propanoyl)amino]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-(prop-2-en-1-yl)-1,4-dihydropyrimidin-2-yl]sulfanyl}propanoyl)amino]benzoate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 4-[(2-{[6-amino-4-oxo-1-(prop-2-en-1-yl)-1,4-dihydropyrimidin-2-yl]sulfanyl}propanoyl)amino]benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.