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Ethyl 4-amino-2-[(3-nitropyridin-2-yl)sulfanyl]pyrimidine-5-carboxylate
TL;DR: Ethyl 4-amino-2-[(3-nitropyridin-2-yl)sulfanyl]pyrimidine-5-carboxylate (CAS 218929-51-2) is a chemical compound with molecular formula C12H11N5O4S and molecular weight 321.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-amino-2-[(3-nitro-2-pyridinyl)sulfanyl]pyrimidine-5-carboxylate
Also Known As: BAS 12743685, ethyl 4-amino-2-[(3-nitropyridin-2-yl)sulfanyl]pyrimidine-5-carboxylate, ethyl 4-amino-2-(3-nitropyridin-2-yl)sulfanylpyrimidine-5-carboxylate, 12W-0906, ethyl 4-amino-2-(3-nitro(2-pyridylthio))pyrimidine-5-carboxylate
| Molecular Formula | C12H11N5O4S |
|---|---|
| Molecular Weight | 321.05 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 162.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 5 |
| Exact Mass | 321.05316 |
| Heavy Atoms | 22 |
| Complexity | 407.0 |
Chemical Identifiers
| CAS Number | 218929-51-2 |
|---|---|
| SMILES | CCOC(=O)C1=CN=C(N=C1N)SC2=C(C=CC=N2)[N+](=O)[O-] |
| InChIKey | XLYMFRHIKHWSRY-UHFFFAOYSA-N |
Product Overview
Ethyl 4-amino-2-[(3-nitropyridin-2-yl)sulfanyl]pyrimidine-5-carboxylate (CAS 218929-51-2), with molecular formula C12H11N5O4S and molecular weight 321.05 g/mol. IUPAC: ethyl 4-amino-2-[(3-nitro-2-pyridinyl)sulfanyl]pyrimidine-5-carboxylate.
Chemical Property Profile of Ethyl 4-amino-2-[(3-nitropyridin-2-yl)sulfanyl]pyrimidine-5-carboxylate
Property Insights of Ethyl 4-amino-2-[(3-nitropyridin-2-yl)sulfanyl]pyrimidine-5-carboxylate
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 4-amino-2-[(3-nitropyridin-2-yl)sulfanyl]pyrimidine-5-carboxylate. The TPSA of 162.0 Ų indicates high polarity, suggesting Ethyl 4-amino-2-[(3-nitropyridin-2-yl)sulfanyl]pyrimidine-5-carboxylate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Ethyl 4-amino-2-[(3-nitropyridin-2-yl)sulfanyl]pyrimidine-5-carboxylate has 1 hydrogen bond donor(s) and 9 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-nitropyridin-2-yl)sulfanyl]pyrimidine-5-carboxylate?
The CAS number of Ethyl 4-amino-2-[(3-nitropyridin-2-yl)sulfanyl]pyrimidine-5-carboxylate is 218929-51-2.
What is the molecular formula of Ethyl 4-amino-2-[(3-nitropyridin-2-yl)sulfanyl]pyrimidine-5-carboxylate?
The molecular formula of Ethyl 4-amino-2-[(3-nitropyridin-2-yl)sulfanyl]pyrimidine-5-carboxylate is C12H11N5O4S.
What is the molecular weight of Ethyl 4-amino-2-[(3-nitropyridin-2-yl)sulfanyl]pyrimidine-5-carboxylate?
The molecular weight of Ethyl 4-amino-2-[(3-nitropyridin-2-yl)sulfanyl]pyrimidine-5-carboxylate is 321.05 g/mol.
Where can I buy Ethyl 4-amino-2-[(3-nitropyridin-2-yl)sulfanyl]pyrimidine-5-carboxylate?
You can request a quote for Ethyl 4-amino-2-[(3-nitropyridin-2-yl)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-nitropyridin-2-yl)sulfanyl]pyrimidine-5-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-amino-2-[(3-nitropyridin-2-yl)sulfanyl]pyrimidine-5-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.