![5-(2-bromo-5-nitrophenyl)-6-(2-hydroxyphenyl)-1,3-dimethyl-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione structure](/static/products/898/898798-12-4.png)
5-(2-bromo-5-nitrophenyl)-6-(2-hydroxyphenyl)-1,3-dimethyl-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione
TL;DR: 5-(2-bromo-5-nitrophenyl)-6-(2-hydroxyphenyl)-1,3-dimethyl-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione (CAS 898798-12-4) is a chemical compound with molecular formula C20H15BrN4O5 and molecular weight 470.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(2-bromo-5-nitrophenyl)-6-(2-hydroxyphenyl)-1,3-dimethylpyrrolo[3,4-d]pyrimidine-2,4-dione
Also Known As: 5-(2-bromo-5-nitrophenyl)-6-(2-hydroxyphenyl)-1,3-dimethyl-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione, 5-(2-bromo-5-nitrophenyl)-6-(2-hydroxyphenyl)-1,3-dimethylpyrrolo[3,4-d]pyrimidine-2,4-dione
| Molecular Formula | C20H15BrN4O5 |
|---|---|
| Molecular Weight | 470.02 g/mol |
| LogP | 3.0712 |
| Topological Polar Surface Area | 112.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 470.02258 |
| Heavy Atoms | 30 |
| Complexity | 1464.8114 |
Chemical Identifiers
| CAS Number | 898798-12-4 |
|---|---|
| SMILES | CN1C2=CN(C(=C2C(=O)N(C1=O)C)C3=C(C=CC(=C3)[N+](=O)[O-])Br)C4=CC=CC=C4O |
Product Overview
5-(2-bromo-5-nitrophenyl)-6-(2-hydroxyphenyl)-1,3-dimethyl-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione (CAS 898798-12-4), with molecular formula C20H15BrN4O5 and molecular weight 470.02 g/mol. IUPAC: 5-(2-bromo-5-nitrophenyl)-6-(2-hydroxyphenyl)-1,3-dimethylpyrrolo[3,4-d]pyrimidine-2,4-dione.
Chemical Property Profile of 5-(2-bromo-5-nitrophenyl)-6-(2-hydroxyphenyl)-1,3-dimethyl-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione
Property Insights of 5-(2-bromo-5-nitrophenyl)-6-(2-hydroxyphenyl)-1,3-dimethyl-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione
The XLogP value of 3.0712 indicates that 5-(2-bromo-5-nitrophenyl)-6-(2-hydroxyphenyl)-1,3-dimethyl-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 112.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(2-bromo-5-nitrophenyl)-6-(2-hydroxyphenyl)-1,3-dimethyl-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione. Following Lipinski's Rule of Five, 5-(2-bromo-5-nitrophenyl)-6-(2-hydroxyphenyl)-1,3-dimethyl-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-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 5-(2-bromo-5-nitrophenyl)-6-(2-hydroxyphenyl)-1,3-dimethyl-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione?
The CAS number of 5-(2-bromo-5-nitrophenyl)-6-(2-hydroxyphenyl)-1,3-dimethyl-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione is 898798-12-4.
What is the molecular formula of 5-(2-bromo-5-nitrophenyl)-6-(2-hydroxyphenyl)-1,3-dimethyl-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione?
The molecular formula of 5-(2-bromo-5-nitrophenyl)-6-(2-hydroxyphenyl)-1,3-dimethyl-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione is C20H15BrN4O5.
What is the molecular weight of 5-(2-bromo-5-nitrophenyl)-6-(2-hydroxyphenyl)-1,3-dimethyl-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione?
The molecular weight of 5-(2-bromo-5-nitrophenyl)-6-(2-hydroxyphenyl)-1,3-dimethyl-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione is 470.02 g/mol.
Where can I buy 5-(2-bromo-5-nitrophenyl)-6-(2-hydroxyphenyl)-1,3-dimethyl-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione?
You can request a quote for 5-(2-bromo-5-nitrophenyl)-6-(2-hydroxyphenyl)-1,3-dimethyl-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-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-bromo-5-nitrophenyl)-6-(2-hydroxyphenyl)-1,3-dimethyl-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 5-(2-bromo-5-nitrophenyl)-6-(2-hydroxyphenyl)-1,3-dimethyl-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.