(Z)-2-(5-((1-(4-bromophenyl)-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl)furan-2-yl)benzoic acid
TL;DR: (Z)-2-(5-((1-(4-bromophenyl)-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl)furan-2-yl)benzoic acid (CAS 309948-32-1) is a chemical compound with molecular formula C22H13BrN2O5S and molecular weight 495.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[5-[(Z)-[1-(4-bromophenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]furan-2-yl]benzoic acid
Also Known As: (Z)-2-(5-((1-(4-bromophenyl)-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl)furan-2-yl)benzoic acid, 2-(5-{[(5Z)-1-(4-BROMOPHENYL)-4,6-DIOXO-2-SULFANYLIDENE-1,3-DIAZINAN-5-YLIDENE]METHYL}FURAN-2-YL)BENZOIC ACID, 2-[5-[(Z)-[1-(4-bromophenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]furan-2-yl]benzoic acid
| Molecular Formula | C22H13BrN2O5S |
|---|---|
| Molecular Weight | 495.97 g/mol |
| LogP | 4.2386 |
| Topological Polar Surface Area | 99.85 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 495.97287 |
| Heavy Atoms | 31 |
| Complexity | 1262.9155 |
Chemical Identifiers
| CAS Number | 309948-32-1 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C2=CC=C(O2)/C=C\3/C(=O)NC(=S)N(C3=O)C4=CC=C(C=C4)Br)C(=O)O |
Product Overview
(Z)-2-(5-((1-(4-bromophenyl)-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl)furan-2-yl)benzoic acid (CAS 309948-32-1), with molecular formula C22H13BrN2O5S and molecular weight 495.97 g/mol. IUPAC: 2-[5-[(Z)-[1-(4-bromophenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]furan-2-yl]benzoic acid.
Chemical Property Profile of (Z)-2-(5-((1-(4-bromophenyl)-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl)furan-2-yl)benzoic acid
Property Insights of (Z)-2-(5-((1-(4-bromophenyl)-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl)furan-2-yl)benzoic acid
The XLogP value of 4.2386 indicates that (Z)-2-(5-((1-(4-bromophenyl)-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl)furan-2-yl)benzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 99.85 Ų falls within the moderate polarity range, balancing permeability and solubility for (Z)-2-(5-((1-(4-bromophenyl)-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl)furan-2-yl)benzoic acid. Following Lipinski's Rule of Five, (Z)-2-(5-((1-(4-bromophenyl)-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-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 (Z)-2-(5-((1-(4-bromophenyl)-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl)furan-2-yl)benzoic acid?
The CAS number of (Z)-2-(5-((1-(4-bromophenyl)-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl)furan-2-yl)benzoic acid is 309948-32-1.
What is the molecular formula of (Z)-2-(5-((1-(4-bromophenyl)-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl)furan-2-yl)benzoic acid?
The molecular formula of (Z)-2-(5-((1-(4-bromophenyl)-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl)furan-2-yl)benzoic acid is C22H13BrN2O5S.
What is the molecular weight of (Z)-2-(5-((1-(4-bromophenyl)-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl)furan-2-yl)benzoic acid?
The molecular weight of (Z)-2-(5-((1-(4-bromophenyl)-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl)furan-2-yl)benzoic acid is 495.97 g/mol.
Where can I buy (Z)-2-(5-((1-(4-bromophenyl)-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl)furan-2-yl)benzoic acid?
You can request a quote for (Z)-2-(5-((1-(4-bromophenyl)-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-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 (Z)-2-(5-((1-(4-bromophenyl)-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl)furan-2-yl)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for (Z)-2-(5-((1-(4-bromophenyl)-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl)furan-2-yl)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.