5-(2,4-dinitroanilino)-1H-pyrimidine-2,4-dione
TL;DR: 5-(2,4-dinitroanilino)-1H-pyrimidine-2,4-dione (CAS 4882-55-7) is a chemical compound with molecular formula C10H7N5O6 and molecular weight 293.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(2,4-dinitroanilino)-1H-pyrimidine-2,4-dione
Also Known As: NCIOpen2_002460, 5-(2,4-dinitroanilino)-1H-pyrimidine-2,4-dione, 5-(2,4-dinitro-anilino)-1H-pyrimidine-2,4-dione, 5-(2,4-Dinitroanilino)pyrimidine-2,4(1H,3H)-dione
| Molecular Formula | C10H7N5O6 |
|---|---|
| Molecular Weight | 293.04 g/mol |
| LogP | 0.6232 |
| Topological Polar Surface Area | 164.03 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 293.03964 |
| Heavy Atoms | 21 |
| Complexity | 838.3173 |
Chemical Identifiers
| CAS Number | 4882-55-7 |
|---|---|
| SMILES | C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])NC2=CNC(=O)NC2=O |
Product Overview
5-(2,4-dinitroanilino)-1H-pyrimidine-2,4-dione (CAS 4882-55-7), with molecular formula C10H7N5O6 and molecular weight 293.04 g/mol. IUPAC: 5-(2,4-dinitroanilino)-1H-pyrimidine-2,4-dione.
Chemical Property Profile of 5-(2,4-dinitroanilino)-1H-pyrimidine-2,4-dione
Property Insights of 5-(2,4-dinitroanilino)-1H-pyrimidine-2,4-dione
The XLogP value of 0.6232 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(2,4-dinitroanilino)-1H-pyrimidine-2,4-dione. The TPSA of 164.03 Ų indicates high polarity, suggesting 5-(2,4-dinitroanilino)-1H-pyrimidine-2,4-dione may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 5-(2,4-dinitroanilino)-1H-pyrimidine-2,4-dione has 3 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 5-(2,4-dinitroanilino)-1H-pyrimidine-2,4-dione?
The CAS number of 5-(2,4-dinitroanilino)-1H-pyrimidine-2,4-dione is 4882-55-7.
What is the molecular formula of 5-(2,4-dinitroanilino)-1H-pyrimidine-2,4-dione?
The molecular formula of 5-(2,4-dinitroanilino)-1H-pyrimidine-2,4-dione is C10H7N5O6.
What is the molecular weight of 5-(2,4-dinitroanilino)-1H-pyrimidine-2,4-dione?
The molecular weight of 5-(2,4-dinitroanilino)-1H-pyrimidine-2,4-dione is 293.04 g/mol.
Where can I buy 5-(2,4-dinitroanilino)-1H-pyrimidine-2,4-dione?
You can request a quote for 5-(2,4-dinitroanilino)-1H-pyrimidine-2,4-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(2,4-dinitroanilino)-1H-pyrimidine-2,4-dione?
Yes, KEHONG BIO provides custom synthesis services for 5-(2,4-dinitroanilino)-1H-pyrimidine-2,4-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.