(E)-3-((2-methoxy-4-((2,4,6-trioxo-1-(m-tolyl)tetrahydropyrimidin-5(2H)-ylidene)methyl)phenoxy)methyl)benzoic acid
TL;DR: (E)-3-((2-methoxy-4-((2,4,6-trioxo-1-(m-tolyl)tetrahydropyrimidin-5(2H)-ylidene)methyl)phenoxy)methyl)benzoic acid (CAS 428482-80-8) is a chemical compound with molecular formula C27H22N2O7 and molecular weight 486.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[[2-methoxy-4-[(E)-[1-(3-methylphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]phenoxy]methyl]benzoic acid
Also Known As: (E)-3-((2-methoxy-4-((2,4,6-trioxo-1-(m-tolyl)tetrahydropyrimidin-5(2H)-ylidene)methyl)phenoxy)methyl)benzoic acid, 3-[(2-methoxy-4-{(E)-[1-(3-methylphenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}phenoxy)methyl]benzoic acid, 3-[(2-METHOXY-4-{[1-(3-METHYLPHENYL)-2,4,6-TRIOXOTETRAHYDRO-5(2H)-PYRIMIDINYLIDEN]METHYL}PHENOXY)METHYL]BENZOIC ACID, 3-[[2-methoxy-4-[(E)-[1-(3-methylphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]phenoxy]methyl]benzoic acid
| Molecular Formula | C27H22N2O7 |
|---|---|
| Molecular Weight | 486.14 g/mol |
| LogP | 3.94722 |
| Topological Polar Surface Area | 122.24 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 486.1427 |
| Heavy Atoms | 36 |
| Complexity | 1410.7361 |
Chemical Identifiers
| CAS Number | 428482-80-8 |
|---|---|
| SMILES | CC1=CC(=CC=C1)N2C(=O)/C(=C/C3=CC(=C(C=C3)OCC4=CC(=CC=C4)C(=O)O)OC)/C(=O)NC2=O |
Product Overview
(E)-3-((2-methoxy-4-((2,4,6-trioxo-1-(m-tolyl)tetrahydropyrimidin-5(2H)-ylidene)methyl)phenoxy)methyl)benzoic acid (CAS 428482-80-8), with molecular formula C27H22N2O7 and molecular weight 486.14 g/mol. IUPAC: 3-[[2-methoxy-4-[(E)-[1-(3-methylphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]phenoxy]methyl]benzoic acid.
Chemical Property Profile of (E)-3-((2-methoxy-4-((2,4,6-trioxo-1-(m-tolyl)tetrahydropyrimidin-5(2H)-ylidene)methyl)phenoxy)methyl)benzoic acid
Property Insights of (E)-3-((2-methoxy-4-((2,4,6-trioxo-1-(m-tolyl)tetrahydropyrimidin-5(2H)-ylidene)methyl)phenoxy)methyl)benzoic acid
The XLogP value of 3.94722 indicates that (E)-3-((2-methoxy-4-((2,4,6-trioxo-1-(m-tolyl)tetrahydropyrimidin-5(2H)-ylidene)methyl)phenoxy)methyl)benzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 122.24 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-3-((2-methoxy-4-((2,4,6-trioxo-1-(m-tolyl)tetrahydropyrimidin-5(2H)-ylidene)methyl)phenoxy)methyl)benzoic acid. Following Lipinski's Rule of Five, (E)-3-((2-methoxy-4-((2,4,6-trioxo-1-(m-tolyl)tetrahydropyrimidin-5(2H)-ylidene)methyl)phenoxy)methyl)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 (E)-3-((2-methoxy-4-((2,4,6-trioxo-1-(m-tolyl)tetrahydropyrimidin-5(2H)-ylidene)methyl)phenoxy)methyl)benzoic acid?
The CAS number of (E)-3-((2-methoxy-4-((2,4,6-trioxo-1-(m-tolyl)tetrahydropyrimidin-5(2H)-ylidene)methyl)phenoxy)methyl)benzoic acid is 428482-80-8.
What is the molecular formula of (E)-3-((2-methoxy-4-((2,4,6-trioxo-1-(m-tolyl)tetrahydropyrimidin-5(2H)-ylidene)methyl)phenoxy)methyl)benzoic acid?
The molecular formula of (E)-3-((2-methoxy-4-((2,4,6-trioxo-1-(m-tolyl)tetrahydropyrimidin-5(2H)-ylidene)methyl)phenoxy)methyl)benzoic acid is C27H22N2O7.
What is the molecular weight of (E)-3-((2-methoxy-4-((2,4,6-trioxo-1-(m-tolyl)tetrahydropyrimidin-5(2H)-ylidene)methyl)phenoxy)methyl)benzoic acid?
The molecular weight of (E)-3-((2-methoxy-4-((2,4,6-trioxo-1-(m-tolyl)tetrahydropyrimidin-5(2H)-ylidene)methyl)phenoxy)methyl)benzoic acid is 486.14 g/mol.
Where can I buy (E)-3-((2-methoxy-4-((2,4,6-trioxo-1-(m-tolyl)tetrahydropyrimidin-5(2H)-ylidene)methyl)phenoxy)methyl)benzoic acid?
You can request a quote for (E)-3-((2-methoxy-4-((2,4,6-trioxo-1-(m-tolyl)tetrahydropyrimidin-5(2H)-ylidene)methyl)phenoxy)methyl)benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-3-((2-methoxy-4-((2,4,6-trioxo-1-(m-tolyl)tetrahydropyrimidin-5(2H)-ylidene)methyl)phenoxy)methyl)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for (E)-3-((2-methoxy-4-((2,4,6-trioxo-1-(m-tolyl)tetrahydropyrimidin-5(2H)-ylidene)methyl)phenoxy)methyl)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.