![3-[4-(4-bromophenyl)-1-methyl-2,5-dioxo-1,2,3,4,5,7-hexahydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl]benzoic acid structure](/static/products/902/902324-29-2.png)
3-[4-(4-bromophenyl)-1-methyl-2,5-dioxo-1,2,3,4,5,7-hexahydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl]benzoic acid
TL;DR: 3-[4-(4-bromophenyl)-1-methyl-2,5-dioxo-1,2,3,4,5,7-hexahydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl]benzoic acid (CAS 902324-29-2) is a chemical compound with molecular formula C20H16BrN3O4 and molecular weight 441.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[4-(4-bromophenyl)-1-methyl-2,5-dioxo-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-6-yl]benzoic acid
Also Known As: 3-[4-(4-bromophenyl)-1-methyl-2,5-dioxo-1,2,3,4,5,7-hexahydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl]benzoic acid, 3-(4-(4-bromophenyl)-1-methyl-2,5-dioxo-3,4-dihydro-1H-pyrrolo[3,4-d]pyrimidin-6(2H,5H,7H)-yl)benzoic acid, 3-[2-(4-bromophenyl)-5-methyl-4,9-dioxo-3,5,8-triazabicyclo[4.3.0]non-10-en-8-yl]benzoic Acid, 3-[4-(4-bromophenyl)-1-methyl-2,5-dioxo-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-6-yl]benzoic acid
| Molecular Formula | C20H16BrN3O4 |
|---|---|
| Molecular Weight | 441.03 g/mol |
| LogP | 3.1443 |
| Topological Polar Surface Area | 89.95 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 441.0324 |
| Heavy Atoms | 28 |
| Complexity | 1032.0012 |
Chemical Identifiers
| CAS Number | 902324-29-2 |
|---|---|
| SMILES | CN1C2=C(C(NC1=O)C3=CC=C(C=C3)Br)C(=O)N(C2)C4=CC=CC(=C4)C(=O)O |
Product Overview
3-[4-(4-bromophenyl)-1-methyl-2,5-dioxo-1,2,3,4,5,7-hexahydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl]benzoic acid (CAS 902324-29-2), with molecular formula C20H16BrN3O4 and molecular weight 441.03 g/mol. IUPAC: 3-[4-(4-bromophenyl)-1-methyl-2,5-dioxo-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-6-yl]benzoic acid.
Chemical Property Profile of 3-[4-(4-bromophenyl)-1-methyl-2,5-dioxo-1,2,3,4,5,7-hexahydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl]benzoic acid
Property Insights of 3-[4-(4-bromophenyl)-1-methyl-2,5-dioxo-1,2,3,4,5,7-hexahydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl]benzoic acid
The XLogP value of 3.1443 indicates that 3-[4-(4-bromophenyl)-1-methyl-2,5-dioxo-1,2,3,4,5,7-hexahydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl]benzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 89.95 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[4-(4-bromophenyl)-1-methyl-2,5-dioxo-1,2,3,4,5,7-hexahydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl]benzoic acid. Following Lipinski's Rule of Five, 3-[4-(4-bromophenyl)-1-methyl-2,5-dioxo-1,2,3,4,5,7-hexahydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl]benzoic acid has 2 hydrogen bond donor(s) and 3 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 3-[4-(4-bromophenyl)-1-methyl-2,5-dioxo-1,2,3,4,5,7-hexahydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl]benzoic acid?
The CAS number of 3-[4-(4-bromophenyl)-1-methyl-2,5-dioxo-1,2,3,4,5,7-hexahydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl]benzoic acid is 902324-29-2.
What is the molecular formula of 3-[4-(4-bromophenyl)-1-methyl-2,5-dioxo-1,2,3,4,5,7-hexahydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl]benzoic acid?
The molecular formula of 3-[4-(4-bromophenyl)-1-methyl-2,5-dioxo-1,2,3,4,5,7-hexahydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl]benzoic acid is C20H16BrN3O4.
What is the molecular weight of 3-[4-(4-bromophenyl)-1-methyl-2,5-dioxo-1,2,3,4,5,7-hexahydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl]benzoic acid?
The molecular weight of 3-[4-(4-bromophenyl)-1-methyl-2,5-dioxo-1,2,3,4,5,7-hexahydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl]benzoic acid is 441.03 g/mol.
Where can I buy 3-[4-(4-bromophenyl)-1-methyl-2,5-dioxo-1,2,3,4,5,7-hexahydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl]benzoic acid?
You can request a quote for 3-[4-(4-bromophenyl)-1-methyl-2,5-dioxo-1,2,3,4,5,7-hexahydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl]benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[4-(4-bromophenyl)-1-methyl-2,5-dioxo-1,2,3,4,5,7-hexahydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl]benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-[4-(4-bromophenyl)-1-methyl-2,5-dioxo-1,2,3,4,5,7-hexahydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl]benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.