Ethyl 6-amino-2-chloro-5-nitropyrimidine-4-carboxylate
TL;DR: Ethyl 6-amino-2-chloro-5-nitropyrimidine-4-carboxylate (CAS 15949-13-0) is a chemical compound with molecular formula C7H7ClN4O4 and molecular weight 246.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 6-amino-2-chloro-5-nitropyrimidine-4-carboxylate
Also Known As: ethyl 6-amino-2-chloro-5-nitropyrimidine-4-carboxylate, 1,1-carbonyldi(1,2,4-triazole)
| Molecular Formula | C7H7ClN4O4 |
|---|---|
| Molecular Weight | 246.02 g/mol |
| LogP | 0.7971 |
| Topological Polar Surface Area | 121.24 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 246.01558 |
| Heavy Atoms | 16 |
| Complexity | 450.25812 |
Chemical Identifiers
| CAS Number | 15949-13-0 |
|---|---|
| SMILES | CCOC(=O)C1=C(C(=NC(=N1)Cl)N)[N+](=O)[O-] |
Product Overview
Ethyl 6-amino-2-chloro-5-nitropyrimidine-4-carboxylate (CAS 15949-13-0), with molecular formula C7H7ClN4O4 and molecular weight 246.02 g/mol. IUPAC: ethyl 6-amino-2-chloro-5-nitropyrimidine-4-carboxylate.
Chemical Property Profile of Ethyl 6-amino-2-chloro-5-nitropyrimidine-4-carboxylate
Property Insights of Ethyl 6-amino-2-chloro-5-nitropyrimidine-4-carboxylate
The XLogP value of 0.7971 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 6-amino-2-chloro-5-nitropyrimidine-4-carboxylate. The TPSA of 121.24 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 6-amino-2-chloro-5-nitropyrimidine-4-carboxylate. Following Lipinski's Rule of Five, Ethyl 6-amino-2-chloro-5-nitropyrimidine-4-carboxylate has 1 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 6-amino-2-chloro-5-nitropyrimidine-4-carboxylate?
The CAS number of Ethyl 6-amino-2-chloro-5-nitropyrimidine-4-carboxylate is 15949-13-0.
What is the molecular formula of Ethyl 6-amino-2-chloro-5-nitropyrimidine-4-carboxylate?
The molecular formula of Ethyl 6-amino-2-chloro-5-nitropyrimidine-4-carboxylate is C7H7ClN4O4.
What is the molecular weight of Ethyl 6-amino-2-chloro-5-nitropyrimidine-4-carboxylate?
The molecular weight of Ethyl 6-amino-2-chloro-5-nitropyrimidine-4-carboxylate is 246.02 g/mol.
Where can I buy Ethyl 6-amino-2-chloro-5-nitropyrimidine-4-carboxylate?
You can request a quote for Ethyl 6-amino-2-chloro-5-nitropyrimidine-4-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 6-amino-2-chloro-5-nitropyrimidine-4-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 6-amino-2-chloro-5-nitropyrimidine-4-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.