![Ethyl 4-amino-2-[(3-nitrobenzyl)sulfanyl]pyrimidine-5-carboxylate structure](/static/products/674/674350-16-4.png)
Ethyl 4-amino-2-[(3-nitrobenzyl)sulfanyl]pyrimidine-5-carboxylate
TL;DR: Ethyl 4-amino-2-[(3-nitrobenzyl)sulfanyl]pyrimidine-5-carboxylate (CAS 674350-16-4) is a chemical compound with molecular formula C14H14N4O4S and molecular weight 334.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-amino-2-[(3-nitrophenyl)methylsulfanyl]pyrimidine-5-carboxylate
Also Known As: ethyl 4-amino-2-((3-nitrobenzyl)thio)pyrimidine-5-carboxylate, ethyl 4-amino-2-[(3-nitrobenzyl)thio]-5-pyrimidinecarboxylate, ethyl 4-amino-2-[(3-nitrobenzyl)sulfanyl]pyrimidine-5-carboxylate, ethyl 4-amino-2-[(3-nitrophenyl)methylthio]pyrimidine-5-carboxylate, ETHYL 4-AMINO-2-[(3-NITROBENZYL)SULFANYL]-5-PYRIMIDINECARBOXYLATE
| Molecular Formula | C14H14N4O4S |
|---|---|
| Molecular Weight | 334.07 g/mol |
| LogP | 2.436 |
| Topological Polar Surface Area | 121.24 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 334.07358 |
| Heavy Atoms | 23 |
| Complexity | 738.4672 |
Chemical Identifiers
| CAS Number | 674350-16-4 |
|---|---|
| SMILES | CCOC(=O)C1=CN=C(N=C1N)SCC2=CC(=CC=C2)[N+](=O)[O-] |
Product Overview
Ethyl 4-amino-2-[(3-nitrobenzyl)sulfanyl]pyrimidine-5-carboxylate (CAS 674350-16-4), with molecular formula C14H14N4O4S and molecular weight 334.07 g/mol. IUPAC: ethyl 4-amino-2-[(3-nitrophenyl)methylsulfanyl]pyrimidine-5-carboxylate.
Chemical Property Profile of Ethyl 4-amino-2-[(3-nitrobenzyl)sulfanyl]pyrimidine-5-carboxylate
Property Insights of Ethyl 4-amino-2-[(3-nitrobenzyl)sulfanyl]pyrimidine-5-carboxylate
The XLogP value of 2.436 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 4-amino-2-[(3-nitrobenzyl)sulfanyl]pyrimidine-5-carboxylate. The TPSA of 121.24 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 4-amino-2-[(3-nitrobenzyl)sulfanyl]pyrimidine-5-carboxylate. Following Lipinski's Rule of Five, Ethyl 4-amino-2-[(3-nitrobenzyl)sulfanyl]pyrimidine-5-carboxylate has 1 hydrogen bond donor(s) and 8 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-[(3-nitrobenzyl)sulfanyl]pyrimidine-5-carboxylate?
The CAS number of Ethyl 4-amino-2-[(3-nitrobenzyl)sulfanyl]pyrimidine-5-carboxylate is 674350-16-4.
What is the molecular formula of Ethyl 4-amino-2-[(3-nitrobenzyl)sulfanyl]pyrimidine-5-carboxylate?
The molecular formula of Ethyl 4-amino-2-[(3-nitrobenzyl)sulfanyl]pyrimidine-5-carboxylate is C14H14N4O4S.
What is the molecular weight of Ethyl 4-amino-2-[(3-nitrobenzyl)sulfanyl]pyrimidine-5-carboxylate?
The molecular weight of Ethyl 4-amino-2-[(3-nitrobenzyl)sulfanyl]pyrimidine-5-carboxylate is 334.07 g/mol.
Where can I buy Ethyl 4-amino-2-[(3-nitrobenzyl)sulfanyl]pyrimidine-5-carboxylate?
You can request a quote for Ethyl 4-amino-2-[(3-nitrobenzyl)sulfanyl]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-amino-2-[(3-nitrobenzyl)sulfanyl]pyrimidine-5-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-amino-2-[(3-nitrobenzyl)sulfanyl]pyrimidine-5-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.