3-benzyl-5-fluoro-1-(4-methoxy-3-nitrobenzyl)pyrimidine-2,4(1H,3H)-dione
TL;DR: 3-benzyl-5-fluoro-1-(4-methoxy-3-nitrobenzyl)pyrimidine-2,4(1H,3H)-dione (CAS 578698-95-0) is a chemical compound with molecular formula C19H16FN3O5 and molecular weight 385.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-benzyl-5-fluoro-1-[(4-methoxy-3-nitrophenyl)methyl]pyrimidine-2,4-dione
Also Known As: 3-benzyl-5-fluoro-1-(4-methoxy-3-nitrobenzyl)pyrimidine-2,4(1H,3H)-dione, 3-benzyl-5-fluoro-1-[(4-methoxy-3-nitrophenyl)methyl]pyrimidine-2,4-dione
| Molecular Formula | C19H16FN3O5 |
|---|---|
| Molecular Weight | 385.11 g/mol |
| LogP | 2.1625 |
| Topological Polar Surface Area | 96.37 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 385.1074 |
| Heavy Atoms | 28 |
| Complexity | 1138.5414 |
Chemical Identifiers
| CAS Number | 578698-95-0 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)CN2C=C(C(=O)N(C2=O)CC3=CC=CC=C3)F)[N+](=O)[O-] |
Product Overview
3-benzyl-5-fluoro-1-(4-methoxy-3-nitrobenzyl)pyrimidine-2,4(1H,3H)-dione (CAS 578698-95-0), with molecular formula C19H16FN3O5 and molecular weight 385.11 g/mol. IUPAC: 3-benzyl-5-fluoro-1-[(4-methoxy-3-nitrophenyl)methyl]pyrimidine-2,4-dione.
Chemical Property Profile of 3-benzyl-5-fluoro-1-(4-methoxy-3-nitrobenzyl)pyrimidine-2,4(1H,3H)-dione
Property Insights of 3-benzyl-5-fluoro-1-(4-methoxy-3-nitrobenzyl)pyrimidine-2,4(1H,3H)-dione
The XLogP value of 2.1625 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-benzyl-5-fluoro-1-(4-methoxy-3-nitrobenzyl)pyrimidine-2,4(1H,3H)-dione. The TPSA of 96.37 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-benzyl-5-fluoro-1-(4-methoxy-3-nitrobenzyl)pyrimidine-2,4(1H,3H)-dione. Following Lipinski's Rule of Five, 3-benzyl-5-fluoro-1-(4-methoxy-3-nitrobenzyl)pyrimidine-2,4(1H,3H)-dione has 0 hydrogen bond donor(s) and 5 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 3-benzyl-5-fluoro-1-(4-methoxy-3-nitrobenzyl)pyrimidine-2,4(1H,3H)-dione?
The CAS number of 3-benzyl-5-fluoro-1-(4-methoxy-3-nitrobenzyl)pyrimidine-2,4(1H,3H)-dione is 578698-95-0.
What is the molecular formula of 3-benzyl-5-fluoro-1-(4-methoxy-3-nitrobenzyl)pyrimidine-2,4(1H,3H)-dione?
The molecular formula of 3-benzyl-5-fluoro-1-(4-methoxy-3-nitrobenzyl)pyrimidine-2,4(1H,3H)-dione is C19H16FN3O5.
What is the molecular weight of 3-benzyl-5-fluoro-1-(4-methoxy-3-nitrobenzyl)pyrimidine-2,4(1H,3H)-dione?
The molecular weight of 3-benzyl-5-fluoro-1-(4-methoxy-3-nitrobenzyl)pyrimidine-2,4(1H,3H)-dione is 385.11 g/mol.
Where can I buy 3-benzyl-5-fluoro-1-(4-methoxy-3-nitrobenzyl)pyrimidine-2,4(1H,3H)-dione?
You can request a quote for 3-benzyl-5-fluoro-1-(4-methoxy-3-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 3-benzyl-5-fluoro-1-(4-methoxy-3-nitrobenzyl)pyrimidine-2,4(1H,3H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 3-benzyl-5-fluoro-1-(4-methoxy-3-nitrobenzyl)pyrimidine-2,4(1H,3H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.