![3-[5-[(Z)-[1-(4-bromophenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]furan-2-yl]benzoic acid structure](/static/products/5998/5998-10-7.webp)
3-[5-[(Z)-[1-(4-bromophenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]furan-2-yl]benzoic acid
TL;DR: 3-[5-[(Z)-[1-(4-bromophenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]furan-2-yl]benzoic acid (CAS 5998-10-7) is a chemical compound with molecular formula C22H13BrN2O6 and molecular weight 480.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[5-[(Z)-[1-(4-bromophenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]furan-2-yl]benzoic acid
Also Known As: 3-[5-[(Z)-[1-(4-bromophenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]furan-2-yl]benzoic acid, (Z)-3-(5-((1-(4-bromophenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)furan-2-yl)benzoic acid, 3-(5-{(Z)-[1-(4-Bromophenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}furan-2-yl)benzoic acid, 3-(5-{[(5Z)-1-(4-BROMOPHENYL)-2,4,6-TRIOXO-1,3-DIAZINAN-5-YLIDENE]METHYL}FURAN-2-YL)BENZOIC ACID, 3-(5-{[1-(4-bromophenyl)-2,4,6-trioxotetrahydro-5(2H)-pyrimidinylidene]methyl}-2-furyl)benzoic acid
| Molecular Formula | C22H13BrN2O6 |
|---|---|
| Molecular Weight | 480.00 g/mol |
| LogP | 4.0737 |
| Topological Polar Surface Area | 116.92 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 479.9957 |
| Heavy Atoms | 31 |
| Complexity | 1259.0154 |
Chemical Identifiers
| CAS Number | 5998-10-7 |
|---|---|
| SMILES | C1=CC(=CC(=C1)C(=O)O)C2=CC=C(O2)/C=C\3/C(=O)NC(=O)N(C3=O)C4=CC=C(C=C4)Br |
Product Overview
3-[5-[(Z)-[1-(4-bromophenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]furan-2-yl]benzoic acid (CAS 5998-10-7), with molecular formula C22H13BrN2O6 and molecular weight 480.00 g/mol. IUPAC: 3-[5-[(Z)-[1-(4-bromophenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]furan-2-yl]benzoic acid.
Chemical Property Profile of 3-[5-[(Z)-[1-(4-bromophenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]furan-2-yl]benzoic acid
Property Insights of 3-[5-[(Z)-[1-(4-bromophenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]furan-2-yl]benzoic acid
The XLogP value of 4.0737 indicates that 3-[5-[(Z)-[1-(4-bromophenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]furan-2-yl]benzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 116.92 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[5-[(Z)-[1-(4-bromophenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]furan-2-yl]benzoic acid. Following Lipinski's Rule of Five, 3-[5-[(Z)-[1-(4-bromophenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]furan-2-yl]benzoic acid has 2 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 3-[5-[(Z)-[1-(4-bromophenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]furan-2-yl]benzoic acid?
The CAS number of 3-[5-[(Z)-[1-(4-bromophenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]furan-2-yl]benzoic acid is 5998-10-7.
What is the molecular formula of 3-[5-[(Z)-[1-(4-bromophenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]furan-2-yl]benzoic acid?
The molecular formula of 3-[5-[(Z)-[1-(4-bromophenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]furan-2-yl]benzoic acid is C22H13BrN2O6.
What is the molecular weight of 3-[5-[(Z)-[1-(4-bromophenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]furan-2-yl]benzoic acid?
The molecular weight of 3-[5-[(Z)-[1-(4-bromophenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]furan-2-yl]benzoic acid is 480.00 g/mol.
Where can I buy 3-[5-[(Z)-[1-(4-bromophenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]furan-2-yl]benzoic acid?
You can request a quote for 3-[5-[(Z)-[1-(4-bromophenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]furan-2-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-[5-[(Z)-[1-(4-bromophenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]furan-2-yl]benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-[5-[(Z)-[1-(4-bromophenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]furan-2-yl]benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.