![1-[(4-Methoxy-3-nitrophenyl)methyl]pyrimidine-2,4-dione structure](/static/products/6922/692268-29-4.webp)
1-[(4-Methoxy-3-nitrophenyl)methyl]pyrimidine-2,4-dione
TL;DR: 1-[(4-Methoxy-3-nitrophenyl)methyl]pyrimidine-2,4-dione (CAS 692268-29-4) is a chemical compound with molecular formula C12H11N3O5 and molecular weight 277.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(4-methoxy-3-nitrophenyl)methyl]pyrimidine-2,4-dione
Also Known As: 1-[(4-methoxy-3-nitrophenyl)methyl]pyrimidine-2,4-dione, 1-(4-methoxy-3-nitrobenzyl)pyrimidine-2,4(1H,3H)-dione, 1-[(4-METHOXY-3-NITROPHENYL)METHYL]-1,2,3,4-TETRAHYDROPYRIMIDINE-2,4-DIONE
| Molecular Formula | C12H11N3O5 |
|---|---|
| Molecular Weight | 277.07 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 104.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 277.0699 |
| Heavy Atoms | 20 |
| Complexity | 445.0 |
Chemical Identifiers
| CAS Number | 692268-29-4 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)CN2C=CC(=O)NC2=O)[N+](=O)[O-] |
| InChIKey | XSOSOSFPAWZWJP-UHFFFAOYSA-N |
Product Overview
1-[(4-Methoxy-3-nitrophenyl)methyl]pyrimidine-2,4-dione (CAS 692268-29-4), with molecular formula C12H11N3O5 and molecular weight 277.07 g/mol. IUPAC: 1-[(4-methoxy-3-nitrophenyl)methyl]pyrimidine-2,4-dione.
Chemical Property Profile of 1-[(4-Methoxy-3-nitrophenyl)methyl]pyrimidine-2,4-dione
Property Insights of 1-[(4-Methoxy-3-nitrophenyl)methyl]pyrimidine-2,4-dione
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-[(4-Methoxy-3-nitrophenyl)methyl]pyrimidine-2,4-dione. The TPSA of 104.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-[(4-Methoxy-3-nitrophenyl)methyl]pyrimidine-2,4-dione. Following Lipinski's Rule of Five, 1-[(4-Methoxy-3-nitrophenyl)methyl]pyrimidine-2,4-dione has 1 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 1-[(4-Methoxy-3-nitrophenyl)methyl]pyrimidine-2,4-dione?
The CAS number of 1-[(4-Methoxy-3-nitrophenyl)methyl]pyrimidine-2,4-dione is 692268-29-4.
What is the molecular formula of 1-[(4-Methoxy-3-nitrophenyl)methyl]pyrimidine-2,4-dione?
The molecular formula of 1-[(4-Methoxy-3-nitrophenyl)methyl]pyrimidine-2,4-dione is C12H11N3O5.
What is the molecular weight of 1-[(4-Methoxy-3-nitrophenyl)methyl]pyrimidine-2,4-dione?
The molecular weight of 1-[(4-Methoxy-3-nitrophenyl)methyl]pyrimidine-2,4-dione is 277.07 g/mol.
Where can I buy 1-[(4-Methoxy-3-nitrophenyl)methyl]pyrimidine-2,4-dione?
You can request a quote for 1-[(4-Methoxy-3-nitrophenyl)methyl]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 1-[(4-Methoxy-3-nitrophenyl)methyl]pyrimidine-2,4-dione?
Yes, KEHONG BIO provides custom synthesis services for 1-[(4-Methoxy-3-nitrophenyl)methyl]pyrimidine-2,4-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.