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[2-(3-nitroanilino)-2-oxoethyl] 5-amino-2,4-dioxo-1H-pyrimidine-6-carboxylate
TL;DR: [2-(3-nitroanilino)-2-oxoethyl] 5-amino-2,4-dioxo-1H-pyrimidine-6-carboxylate (CAS 482363-12-2) is a chemical compound with molecular formula C13H11N5O7 and molecular weight 349.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(3-nitroanilino)-2-oxoethyl] 5-amino-2,4-dioxo-1H-pyrimidine-6-carboxylate
Also Known As: [2-(3-nitroanilino)-2-oxoethyl] 5-amino-2,4-dioxo-1H-pyrimidine-6-carboxylate|(3-nitrophenyl)carbamoylmethyl 5-amino-2,6-dioxo-3H-pyrimidine-4-carboxylate|5-amino-2,4-diketo-1H-pyrimidine-6-carboxylic acid [2-keto-2-(3-nitroanilino)ethyl] ester|5-amino-2,4-dioxo-1H-pyrimidine-6-carboxylic acid [2-(3-nitroanilino)-2-oxoethyl] ester|[2-[(3-nitrophenyl)amino]-2-oxidanylidene-ethyl] 5-azanyl-2,4-bis(oxidanylidene)-1H-pyrimidine-6-carboxylate|2-(3-Nitroanilino)-2-oxoethyl 5-amino-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylate|MLS002171489|SMR001251783|cid_2554078
| Molecular Formula | C13H11N5O7 |
|---|---|
| Molecular Weight | 349.07 g/mol |
| LogP | -0.6509 |
| Topological Polar Surface Area | 190.28 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 349.06586 |
| Heavy Atoms | 25 |
| Complexity | 961.7256 |
Chemical Identifiers
| CAS Number | 482363-12-2 |
|---|---|
| SMILES | C1=CC(=CC(=C1)[N+](=O)[O-])NC(=O)COC(=O)C2=C(C(=O)NC(=O)N2)N |
Product Overview
[2-(3-nitroanilino)-2-oxoethyl] 5-amino-2,4-dioxo-1H-pyrimidine-6-carboxylate (CAS 482363-12-2), with molecular formula C13H11N5O7 and molecular weight 349.07 g/mol. IUPAC: [2-(3-nitroanilino)-2-oxoethyl] 5-amino-2,4-dioxo-1H-pyrimidine-6-carboxylate.
Chemical Property Profile of [2-(3-nitroanilino)-2-oxoethyl] 5-amino-2,4-dioxo-1H-pyrimidine-6-carboxylate
Property Insights of [2-(3-nitroanilino)-2-oxoethyl] 5-amino-2,4-dioxo-1H-pyrimidine-6-carboxylate
The XLogP value of -0.6509 indicates that [2-(3-nitroanilino)-2-oxoethyl] 5-amino-2,4-dioxo-1H-pyrimidine-6-carboxylate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 190.28 Ų indicates high polarity, suggesting [2-(3-nitroanilino)-2-oxoethyl] 5-amino-2,4-dioxo-1H-pyrimidine-6-carboxylate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, [2-(3-nitroanilino)-2-oxoethyl] 5-amino-2,4-dioxo-1H-pyrimidine-6-carboxylate has 4 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 [2-(3-nitroanilino)-2-oxoethyl] 5-amino-2,4-dioxo-1H-pyrimidine-6-carboxylate?
The CAS number of [2-(3-nitroanilino)-2-oxoethyl] 5-amino-2,4-dioxo-1H-pyrimidine-6-carboxylate is 482363-12-2.
What is the molecular formula of [2-(3-nitroanilino)-2-oxoethyl] 5-amino-2,4-dioxo-1H-pyrimidine-6-carboxylate?
The molecular formula of [2-(3-nitroanilino)-2-oxoethyl] 5-amino-2,4-dioxo-1H-pyrimidine-6-carboxylate is C13H11N5O7.
What is the molecular weight of [2-(3-nitroanilino)-2-oxoethyl] 5-amino-2,4-dioxo-1H-pyrimidine-6-carboxylate?
The molecular weight of [2-(3-nitroanilino)-2-oxoethyl] 5-amino-2,4-dioxo-1H-pyrimidine-6-carboxylate is 349.07 g/mol.
Where can I buy [2-(3-nitroanilino)-2-oxoethyl] 5-amino-2,4-dioxo-1H-pyrimidine-6-carboxylate?
You can request a quote for [2-(3-nitroanilino)-2-oxoethyl] 5-amino-2,4-dioxo-1H-pyrimidine-6-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [2-(3-nitroanilino)-2-oxoethyl] 5-amino-2,4-dioxo-1H-pyrimidine-6-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for [2-(3-nitroanilino)-2-oxoethyl] 5-amino-2,4-dioxo-1H-pyrimidine-6-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.