5-bromo-1,3-bis(4-methoxy-3-nitrobenzyl)pyrimidine-2,4(1H,3H)-dione
TL;DR: 5-bromo-1,3-bis(4-methoxy-3-nitrobenzyl)pyrimidine-2,4(1H,3H)-dione (CAS 331665-79-3) is a chemical compound with molecular formula C20H17BrN4O8 and molecular weight 520.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-bromo-1,3-bis[(4-methoxy-3-nitrophenyl)methyl]pyrimidine-2,4-dione
Also Known As: BAS 00386321, 5-bromo-1,3-bis(4-methoxy-3-nitrobenzyl)pyrimidine-2,4(1H,3H)-dione, 5-Bromo-1,3-bis-(4-methoxy-3-nitro-benzyl)-1H-pyrimidine-2,4-dione, 5-bromo-1,3-bis[(4-methoxy-3-nitrophenyl)methyl]pyrimidine-2,4-dione, 1,3-bis[(4-methoxy-3-nitrophenyl)methyl]-5-bromo-1,3-dihydropyrimidine-2,4-dio ne
| Molecular Formula | C20H17BrN4O8 |
|---|---|
| Molecular Weight | 520.02 g/mol |
| LogP | 2.7027 |
| Topological Polar Surface Area | 148.74 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 520.023 |
| Heavy Atoms | 33 |
| Complexity | 1365.1464 |
Chemical Identifiers
| CAS Number | 331665-79-3 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)CN2C=C(C(=O)N(C2=O)CC3=CC(=C(C=C3)OC)[N+](=O)[O-])Br)[N+](=O)[O-] |
Product Overview
5-bromo-1,3-bis(4-methoxy-3-nitrobenzyl)pyrimidine-2,4(1H,3H)-dione (CAS 331665-79-3), with molecular formula C20H17BrN4O8 and molecular weight 520.02 g/mol. IUPAC: 5-bromo-1,3-bis[(4-methoxy-3-nitrophenyl)methyl]pyrimidine-2,4-dione.
Chemical Property Profile of 5-bromo-1,3-bis(4-methoxy-3-nitrobenzyl)pyrimidine-2,4(1H,3H)-dione
Property Insights of 5-bromo-1,3-bis(4-methoxy-3-nitrobenzyl)pyrimidine-2,4(1H,3H)-dione
The XLogP value of 2.7027 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-bromo-1,3-bis(4-methoxy-3-nitrobenzyl)pyrimidine-2,4(1H,3H)-dione. The TPSA of 148.74 Ų indicates high polarity, suggesting 5-bromo-1,3-bis(4-methoxy-3-nitrobenzyl)pyrimidine-2,4(1H,3H)-dione may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 5-bromo-1,3-bis(4-methoxy-3-nitrobenzyl)pyrimidine-2,4(1H,3H)-dione has 0 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 5-bromo-1,3-bis(4-methoxy-3-nitrobenzyl)pyrimidine-2,4(1H,3H)-dione?
The CAS number of 5-bromo-1,3-bis(4-methoxy-3-nitrobenzyl)pyrimidine-2,4(1H,3H)-dione is 331665-79-3.
What is the molecular formula of 5-bromo-1,3-bis(4-methoxy-3-nitrobenzyl)pyrimidine-2,4(1H,3H)-dione?
The molecular formula of 5-bromo-1,3-bis(4-methoxy-3-nitrobenzyl)pyrimidine-2,4(1H,3H)-dione is C20H17BrN4O8.
What is the molecular weight of 5-bromo-1,3-bis(4-methoxy-3-nitrobenzyl)pyrimidine-2,4(1H,3H)-dione?
The molecular weight of 5-bromo-1,3-bis(4-methoxy-3-nitrobenzyl)pyrimidine-2,4(1H,3H)-dione is 520.02 g/mol.
Where can I buy 5-bromo-1,3-bis(4-methoxy-3-nitrobenzyl)pyrimidine-2,4(1H,3H)-dione?
You can request a quote for 5-bromo-1,3-bis(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 5-bromo-1,3-bis(4-methoxy-3-nitrobenzyl)pyrimidine-2,4(1H,3H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 5-bromo-1,3-bis(4-methoxy-3-nitrobenzyl)pyrimidine-2,4(1H,3H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.