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Ethyl 4-amino-2-[(2,4-dinitrophenyl)sulfanyl]pyrimidine-5-carboxylate
TL;DR: Ethyl 4-amino-2-[(2,4-dinitrophenyl)sulfanyl]pyrimidine-5-carboxylate (CAS 75464-92-5) is a chemical compound with molecular formula C13H11N5O6S and molecular weight 365.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-amino-2-(2,4-dinitrophenyl)sulfanylpyrimidine-5-carboxylate
Also Known As: ethyl 4-amino-2-[(2,4-dinitrophenyl)sulfanyl]pyrimidine-5-carboxylate, BIM-0022631.P001, ethyl 4-amino-2-(2,4-dinitrophenyl)sulfanylpyrimidine-5-carboxylate, 5-Pyrimidinecarboxylicacid,4-amino-2-[(2,4-dinitrophenyl)thio]-,ethyl ester, ethyl 4-amino-2-(2,4-dinitrophenyl)sulfanylpyrimidine-5-carb
| Molecular Formula | C13H11N5O6S |
|---|---|
| Molecular Weight | 365.04 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 195.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 5 |
| Exact Mass | 365.043 |
| Heavy Atoms | 25 |
| Complexity | 512.0 |
Chemical Identifiers
| CAS Number | 75464-92-5 |
|---|---|
| SMILES | CCOC(=O)C1=CN=C(N=C1N)SC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | GWECAEFYWYGWFM-UHFFFAOYSA-N |
Product Overview
Ethyl 4-amino-2-[(2,4-dinitrophenyl)sulfanyl]pyrimidine-5-carboxylate (CAS 75464-92-5), with molecular formula C13H11N5O6S and molecular weight 365.04 g/mol. IUPAC: ethyl 4-amino-2-(2,4-dinitrophenyl)sulfanylpyrimidine-5-carboxylate.
Chemical Property Profile of Ethyl 4-amino-2-[(2,4-dinitrophenyl)sulfanyl]pyrimidine-5-carboxylate
Property Insights of Ethyl 4-amino-2-[(2,4-dinitrophenyl)sulfanyl]pyrimidine-5-carboxylate
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 4-amino-2-[(2,4-dinitrophenyl)sulfanyl]pyrimidine-5-carboxylate. The TPSA of 195.0 Ų indicates high polarity, suggesting Ethyl 4-amino-2-[(2,4-dinitrophenyl)sulfanyl]pyrimidine-5-carboxylate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Ethyl 4-amino-2-[(2,4-dinitrophenyl)sulfanyl]pyrimidine-5-carboxylate has 1 hydrogen bond donor(s) and 10 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-[(2,4-dinitrophenyl)sulfanyl]pyrimidine-5-carboxylate?
The CAS number of Ethyl 4-amino-2-[(2,4-dinitrophenyl)sulfanyl]pyrimidine-5-carboxylate is 75464-92-5.
What is the molecular formula of Ethyl 4-amino-2-[(2,4-dinitrophenyl)sulfanyl]pyrimidine-5-carboxylate?
The molecular formula of Ethyl 4-amino-2-[(2,4-dinitrophenyl)sulfanyl]pyrimidine-5-carboxylate is C13H11N5O6S.
What is the molecular weight of Ethyl 4-amino-2-[(2,4-dinitrophenyl)sulfanyl]pyrimidine-5-carboxylate?
The molecular weight of Ethyl 4-amino-2-[(2,4-dinitrophenyl)sulfanyl]pyrimidine-5-carboxylate is 365.04 g/mol.
Where can I buy Ethyl 4-amino-2-[(2,4-dinitrophenyl)sulfanyl]pyrimidine-5-carboxylate?
You can request a quote for Ethyl 4-amino-2-[(2,4-dinitrophenyl)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-[(2,4-dinitrophenyl)sulfanyl]pyrimidine-5-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-amino-2-[(2,4-dinitrophenyl)sulfanyl]pyrimidine-5-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.