1-(4-Nitrobenzyl)pyrimidine-2,4(1h,3h)-dione
TL;DR: 1-(4-Nitrobenzyl)pyrimidine-2,4(1h,3h)-dione (CAS 73398-96-6) is a chemical compound with molecular formula C11H9N3O4 and molecular weight 247.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(4-nitrophenyl)methyl]pyrimidine-2,4-dione
Also Known As: 1-(4-nitrobenzyl)uracil, KST-1B8179, 1-(4-nitrobenzyl)pyrimidine-2,4(1h,3h)-dione, 1-[(4-nitrophenyl)methyl]pyrimidine-2,4-dione, 1-[(4-Nitrophenyl)methyl]pyrimidine-2,4(1H,3H)-dione
| Molecular Formula | C11H9N3O4 |
|---|---|
| Molecular Weight | 247.06 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 95.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 247.05931 |
| Heavy Atoms | 18 |
| Complexity | 394.0 |
Chemical Identifiers
| CAS Number | 73398-96-6 |
|---|---|
| SMILES | C1=CC(=CC=C1CN2C=CC(=O)NC2=O)[N+](=O)[O-] |
| InChIKey | BMTCZXDZXFKKMD-UHFFFAOYSA-N |
Product Overview
1-(4-Nitrobenzyl)pyrimidine-2,4(1h,3h)-dione (CAS 73398-96-6), with molecular formula C11H9N3O4 and molecular weight 247.06 g/mol. IUPAC: 1-[(4-nitrophenyl)methyl]pyrimidine-2,4-dione.
Chemical Property Profile of 1-(4-Nitrobenzyl)pyrimidine-2,4(1h,3h)-dione
Property Insights of 1-(4-Nitrobenzyl)pyrimidine-2,4(1h,3h)-dione
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(4-Nitrobenzyl)pyrimidine-2,4(1h,3h)-dione. The TPSA of 95.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(4-Nitrobenzyl)pyrimidine-2,4(1h,3h)-dione. Following Lipinski's Rule of Five, 1-(4-Nitrobenzyl)pyrimidine-2,4(1h,3h)-dione has 1 hydrogen bond donor(s) and 4 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 1-(4-Nitrobenzyl)pyrimidine-2,4(1h,3h)-dione?
The CAS number of 1-(4-Nitrobenzyl)pyrimidine-2,4(1h,3h)-dione is 73398-96-6.
What is the molecular formula of 1-(4-Nitrobenzyl)pyrimidine-2,4(1h,3h)-dione?
The molecular formula of 1-(4-Nitrobenzyl)pyrimidine-2,4(1h,3h)-dione is C11H9N3O4.
What is the molecular weight of 1-(4-Nitrobenzyl)pyrimidine-2,4(1h,3h)-dione?
The molecular weight of 1-(4-Nitrobenzyl)pyrimidine-2,4(1h,3h)-dione is 247.06 g/mol.
Where can I buy 1-(4-Nitrobenzyl)pyrimidine-2,4(1h,3h)-dione?
You can request a quote for 1-(4-Nitrobenzyl)pyrimidine-2,4(1h,3h)-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(4-Nitrobenzyl)pyrimidine-2,4(1h,3h)-dione?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-Nitrobenzyl)pyrimidine-2,4(1h,3h)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.