![5-(2-bromo-5-nitrophenyl)-6-butyl-1,3-dimethyl-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione structure](/static/products/895/895828-83-8.png)
5-(2-bromo-5-nitrophenyl)-6-butyl-1,3-dimethyl-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione
TL;DR: 5-(2-bromo-5-nitrophenyl)-6-butyl-1,3-dimethyl-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione (CAS 895828-83-8) is a chemical compound with molecular formula C18H19BrN4O4 and molecular weight 434.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(2-bromo-5-nitrophenyl)-6-butyl-1,3-dimethylpyrrolo[3,4-d]pyrimidine-2,4-dione
Also Known As: 5-(2-bromo-5-nitrophenyl)-6-butyl-1,3-dimethyl-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione, 5-(2-bromo-5-nitrophenyl)-6-butyl-1,3-dimethylpyrrolo[3,4-d]pyrimidine-2,4-dione, 9-(2-bromo-5-nitro-phenyl)-8-butyl-3,5-dimethyl-3,5,8-triazabicyclo[4.3.0]nona-6,9-diene-2,4-dione
| Molecular Formula | C18H19BrN4O4 |
|---|---|
| Molecular Weight | 434.06 g/mol |
| LogP | 3.1765 |
| Topological Polar Surface Area | 92.07 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 434.05896 |
| Heavy Atoms | 27 |
| Complexity | 1172.7891 |
Chemical Identifiers
| CAS Number | 895828-83-8 |
|---|---|
| SMILES | CCCCN1C=C2C(=C1C3=C(C=CC(=C3)[N+](=O)[O-])Br)C(=O)N(C(=O)N2C)C |
Product Overview
5-(2-bromo-5-nitrophenyl)-6-butyl-1,3-dimethyl-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione (CAS 895828-83-8), with molecular formula C18H19BrN4O4 and molecular weight 434.06 g/mol. IUPAC: 5-(2-bromo-5-nitrophenyl)-6-butyl-1,3-dimethylpyrrolo[3,4-d]pyrimidine-2,4-dione.
Chemical Property Profile of 5-(2-bromo-5-nitrophenyl)-6-butyl-1,3-dimethyl-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione
Property Insights of 5-(2-bromo-5-nitrophenyl)-6-butyl-1,3-dimethyl-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione
The XLogP value of 3.1765 indicates that 5-(2-bromo-5-nitrophenyl)-6-butyl-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 92.07 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(2-bromo-5-nitrophenyl)-6-butyl-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-butyl-1,3-dimethyl-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione has 0 hydrogen bond donor(s) and 4 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-butyl-1,3-dimethyl-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione?
The CAS number of 5-(2-bromo-5-nitrophenyl)-6-butyl-1,3-dimethyl-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione is 895828-83-8.
What is the molecular formula of 5-(2-bromo-5-nitrophenyl)-6-butyl-1,3-dimethyl-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione?
The molecular formula of 5-(2-bromo-5-nitrophenyl)-6-butyl-1,3-dimethyl-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione is C18H19BrN4O4.
What is the molecular weight of 5-(2-bromo-5-nitrophenyl)-6-butyl-1,3-dimethyl-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione?
The molecular weight of 5-(2-bromo-5-nitrophenyl)-6-butyl-1,3-dimethyl-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione is 434.06 g/mol.
Where can I buy 5-(2-bromo-5-nitrophenyl)-6-butyl-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-butyl-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-butyl-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-butyl-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.