(Z)-3-(5-((1-(3-chloro-4-methoxyphenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)furan-2-yl)benzoic acid
TL;DR: (Z)-3-(5-((1-(3-chloro-4-methoxyphenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)furan-2-yl)benzoic acid (CAS 799779-92-3) is a chemical compound with molecular formula C23H15ClN2O7 and molecular weight 466.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[5-[(Z)-[1-(3-chloro-4-methoxyphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]furan-2-yl]benzoic acid
Also Known As: (Z)-3-(5-((1-(3-chloro-4-methoxyphenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)furan-2-yl)benzoic acid, 3-(5-{(Z)-[1-(3-chloro-4-methoxyphenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}furan-2-yl)benzoic acid, 3-[5-[(Z)-[1-(3-chloro-4-methoxyphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]furan-2-yl]benzoic acid
| Molecular Formula | C23H15ClN2O7 |
|---|---|
| Molecular Weight | 466.06 g/mol |
| LogP | 3.9732 |
| Topological Polar Surface Area | 126.15 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 466.0568 |
| Heavy Atoms | 33 |
| Complexity | 1342.0828 |
Chemical Identifiers
| CAS Number | 799779-92-3 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)N2C(=O)/C(=C\C3=CC=C(O3)C4=CC(=CC=C4)C(=O)O)/C(=O)NC2=O)Cl |
Product Overview
(Z)-3-(5-((1-(3-chloro-4-methoxyphenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)furan-2-yl)benzoic acid (CAS 799779-92-3), with molecular formula C23H15ClN2O7 and molecular weight 466.06 g/mol. IUPAC: 3-[5-[(Z)-[1-(3-chloro-4-methoxyphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]furan-2-yl]benzoic acid.
Chemical Property Profile of (Z)-3-(5-((1-(3-chloro-4-methoxyphenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)furan-2-yl)benzoic acid
Property Insights of (Z)-3-(5-((1-(3-chloro-4-methoxyphenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)furan-2-yl)benzoic acid
The XLogP value of 3.9732 indicates that (Z)-3-(5-((1-(3-chloro-4-methoxyphenyl)-2,4,6-trioxotetrahydropyrimidin-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 126.15 Ų falls within the moderate polarity range, balancing permeability and solubility for (Z)-3-(5-((1-(3-chloro-4-methoxyphenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)furan-2-yl)benzoic acid. Following Lipinski's Rule of Five, (Z)-3-(5-((1-(3-chloro-4-methoxyphenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)furan-2-yl)benzoic acid has 2 hydrogen bond donor(s) and 6 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)-3-(5-((1-(3-chloro-4-methoxyphenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)furan-2-yl)benzoic acid?
The CAS number of (Z)-3-(5-((1-(3-chloro-4-methoxyphenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)furan-2-yl)benzoic acid is 799779-92-3.
What is the molecular formula of (Z)-3-(5-((1-(3-chloro-4-methoxyphenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)furan-2-yl)benzoic acid?
The molecular formula of (Z)-3-(5-((1-(3-chloro-4-methoxyphenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)furan-2-yl)benzoic acid is C23H15ClN2O7.
What is the molecular weight of (Z)-3-(5-((1-(3-chloro-4-methoxyphenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)furan-2-yl)benzoic acid?
The molecular weight of (Z)-3-(5-((1-(3-chloro-4-methoxyphenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)furan-2-yl)benzoic acid is 466.06 g/mol.
Where can I buy (Z)-3-(5-((1-(3-chloro-4-methoxyphenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)furan-2-yl)benzoic acid?
You can request a quote for (Z)-3-(5-((1-(3-chloro-4-methoxyphenyl)-2,4,6-trioxotetrahydropyrimidin-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)-3-(5-((1-(3-chloro-4-methoxyphenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)furan-2-yl)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for (Z)-3-(5-((1-(3-chloro-4-methoxyphenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)furan-2-yl)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.