(Z)-methyl 2-(5-((1-(3-chloro-4-methoxyphenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)furan-2-yl)benzoate
TL;DR: (Z)-methyl 2-(5-((1-(3-chloro-4-methoxyphenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)furan-2-yl)benzoate (CAS 575461-40-4) is a chemical compound with molecular formula C24H17ClN2O7 and molecular weight 480.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[5-[(Z)-[1-(3-chloro-4-methoxyphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]furan-2-yl]benzoate
Also Known As: (Z)-methyl 2-(5-((1-(3-chloro-4-methoxyphenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)furan-2-yl)benzoate, methyl 2-(5-{(Z)-[1-(3-chloro-4-methoxyphenyl)-4-hydroxy-2,6-dioxo-1,6-dihydropyrimidin-5(2H)-ylidene]methyl}furan-2-yl)benzoate, methyl 2-[5-[(Z)-[1-(3-chloro-4-methoxyphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]furan-2-yl]benzoate
| Molecular Formula | C24H17ClN2O7 |
|---|---|
| Molecular Weight | 480.07 g/mol |
| LogP | 4.0616 |
| Topological Polar Surface Area | 115.15 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 480.07242 |
| Heavy Atoms | 34 |
| Complexity | 1358.8562 |
Chemical Identifiers
| CAS Number | 575461-40-4 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)N2C(=O)/C(=C\C3=CC=C(O3)C4=CC=CC=C4C(=O)OC)/C(=O)NC2=O)Cl |
Product Overview
(Z)-methyl 2-(5-((1-(3-chloro-4-methoxyphenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)furan-2-yl)benzoate (CAS 575461-40-4), with molecular formula C24H17ClN2O7 and molecular weight 480.07 g/mol. IUPAC: methyl 2-[5-[(Z)-[1-(3-chloro-4-methoxyphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]furan-2-yl]benzoate.
Chemical Property Profile of (Z)-methyl 2-(5-((1-(3-chloro-4-methoxyphenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)furan-2-yl)benzoate
Property Insights of (Z)-methyl 2-(5-((1-(3-chloro-4-methoxyphenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)furan-2-yl)benzoate
The XLogP value of 4.0616 indicates that (Z)-methyl 2-(5-((1-(3-chloro-4-methoxyphenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)furan-2-yl)benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 115.15 Ų falls within the moderate polarity range, balancing permeability and solubility for (Z)-methyl 2-(5-((1-(3-chloro-4-methoxyphenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)furan-2-yl)benzoate. Following Lipinski's Rule of Five, (Z)-methyl 2-(5-((1-(3-chloro-4-methoxyphenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)furan-2-yl)benzoate has 1 hydrogen bond donor(s) and 7 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)-methyl 2-(5-((1-(3-chloro-4-methoxyphenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)furan-2-yl)benzoate?
The CAS number of (Z)-methyl 2-(5-((1-(3-chloro-4-methoxyphenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)furan-2-yl)benzoate is 575461-40-4.
What is the molecular formula of (Z)-methyl 2-(5-((1-(3-chloro-4-methoxyphenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)furan-2-yl)benzoate?
The molecular formula of (Z)-methyl 2-(5-((1-(3-chloro-4-methoxyphenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)furan-2-yl)benzoate is C24H17ClN2O7.
What is the molecular weight of (Z)-methyl 2-(5-((1-(3-chloro-4-methoxyphenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)furan-2-yl)benzoate?
The molecular weight of (Z)-methyl 2-(5-((1-(3-chloro-4-methoxyphenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)furan-2-yl)benzoate is 480.07 g/mol.
Where can I buy (Z)-methyl 2-(5-((1-(3-chloro-4-methoxyphenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)furan-2-yl)benzoate?
You can request a quote for (Z)-methyl 2-(5-((1-(3-chloro-4-methoxyphenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)furan-2-yl)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (Z)-methyl 2-(5-((1-(3-chloro-4-methoxyphenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)furan-2-yl)benzoate?
Yes, KEHONG BIO provides custom synthesis services for (Z)-methyl 2-(5-((1-(3-chloro-4-methoxyphenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)furan-2-yl)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.