![5-(2-bromo-5-nitrophenyl)-6-(1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl)-1,3-dimethyl-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione structure](/static/products/902/902331-83-3.png)
5-(2-bromo-5-nitrophenyl)-6-(1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl)-1,3-dimethyl-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione
TL;DR: 5-(2-bromo-5-nitrophenyl)-6-(1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl)-1,3-dimethyl-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione (CAS 902331-83-3) is a chemical compound with molecular formula C18H19BrN4O7 and molecular weight 482.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(2-bromo-5-nitrophenyl)-6-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-1,3-dimethylpyrrolo[3,4-d]pyrimidine-2,4-dione
Also Known As: 5-(2-bromo-5-nitrophenyl)-6-(1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl)-1,3-dimethyl-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione, 5-(2-bromo-5-nitrophenyl)-6-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-1,3-dimethyl-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione, 5-(2-bromo-5-nitrophenyl)-6-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-1,3-dimethylpyrrolo[3,4-d]pyrimidine-2,4-dione
| Molecular Formula | C18H19BrN4O7 |
|---|---|
| Molecular Weight | 482.04 g/mol |
| LogP | 0.0486 |
| Topological Polar Surface Area | 152.76 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 482.0437 |
| Heavy Atoms | 30 |
| Complexity | 1261.9816 |
Chemical Identifiers
| CAS Number | 902331-83-3 |
|---|---|
| SMILES | CN1C2=CN(C(=C2C(=O)N(C1=O)C)C3=C(C=CC(=C3)[N+](=O)[O-])Br)C(CO)(CO)CO |
Product Overview
5-(2-bromo-5-nitrophenyl)-6-(1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl)-1,3-dimethyl-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione (CAS 902331-83-3), with molecular formula C18H19BrN4O7 and molecular weight 482.04 g/mol. IUPAC: 5-(2-bromo-5-nitrophenyl)-6-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-1,3-dimethylpyrrolo[3,4-d]pyrimidine-2,4-dione.
Chemical Property Profile of 5-(2-bromo-5-nitrophenyl)-6-(1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl)-1,3-dimethyl-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione
Property Insights of 5-(2-bromo-5-nitrophenyl)-6-(1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl)-1,3-dimethyl-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione
The XLogP value of 0.0486 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(2-bromo-5-nitrophenyl)-6-(1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl)-1,3-dimethyl-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione. The TPSA of 152.76 Ų indicates high polarity, suggesting 5-(2-bromo-5-nitrophenyl)-6-(1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl)-1,3-dimethyl-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 5-(2-bromo-5-nitrophenyl)-6-(1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl)-1,3-dimethyl-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione has 3 hydrogen bond donor(s) and 7 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-(1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl)-1,3-dimethyl-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione?
The CAS number of 5-(2-bromo-5-nitrophenyl)-6-(1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl)-1,3-dimethyl-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione is 902331-83-3.
What is the molecular formula of 5-(2-bromo-5-nitrophenyl)-6-(1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl)-1,3-dimethyl-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione?
The molecular formula of 5-(2-bromo-5-nitrophenyl)-6-(1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl)-1,3-dimethyl-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione is C18H19BrN4O7.
What is the molecular weight of 5-(2-bromo-5-nitrophenyl)-6-(1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl)-1,3-dimethyl-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione?
The molecular weight of 5-(2-bromo-5-nitrophenyl)-6-(1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl)-1,3-dimethyl-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione is 482.04 g/mol.
Where can I buy 5-(2-bromo-5-nitrophenyl)-6-(1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl)-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-(1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl)-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-(1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl)-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-(1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl)-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.