![methyl 4-{[(1,3-dimethyl-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)(phenyl)methyl]amino}benzoate structure](/static/products/3129/312926-59-3.webp)
methyl 4-{[(1,3-dimethyl-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)(phenyl)methyl]amino}benzoate
TL;DR: methyl 4-{[(1,3-dimethyl-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)(phenyl)methyl]amino}benzoate (CAS 312926-59-3) is a chemical compound with molecular formula C21H19N3O5 and molecular weight 393.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[[(4-hydroxy-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-phenylmethylidene]amino]benzoate
Also Known As: methyl 4-{[(1,3-dimethyl-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)(phenyl)methyl]amino}benzoate, methyl 4-[[(4-hydroxy-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-phenylmethylidene]amino]benzoate, methyl 4-[[(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)-phenylmethyl]amino]benzoate, 4-{[(1,3-Dimethyl-2,4,6-trioxo-tetrahydro-pyrimidin-5-ylidene)-phenyl-methyl]-amino}-benzoic acid methyl ester, methyl 4-(((1,3-dimethyl-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)(phenyl)methyl)amino)benzoate
| Molecular Formula | C21H19N3O5 |
|---|---|
| Molecular Weight | 393.13 g/mol |
| LogP | 1.7453 |
| Topological Polar Surface Area | 102.89 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 393.13248 |
| Heavy Atoms | 29 |
| Complexity | 1206.0493 |
Chemical Identifiers
| CAS Number | 312926-59-3 |
|---|---|
| SMILES | CN1C(=C(C(=O)N(C1=O)C)C(=NC2=CC=C(C=C2)C(=O)OC)C3=CC=CC=C3)O |
Product Overview
methyl 4-{[(1,3-dimethyl-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)(phenyl)methyl]amino}benzoate (CAS 312926-59-3), with molecular formula C21H19N3O5 and molecular weight 393.13 g/mol. IUPAC: methyl 4-[[(4-hydroxy-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-phenylmethylidene]amino]benzoate.
Chemical Property Profile of methyl 4-{[(1,3-dimethyl-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)(phenyl)methyl]amino}benzoate
Property Insights of methyl 4-{[(1,3-dimethyl-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)(phenyl)methyl]amino}benzoate
The XLogP value of 1.7453 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 4-{[(1,3-dimethyl-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)(phenyl)methyl]amino}benzoate. The TPSA of 102.89 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 4-{[(1,3-dimethyl-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)(phenyl)methyl]amino}benzoate. Following Lipinski's Rule of Five, methyl 4-{[(1,3-dimethyl-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)(phenyl)methyl]amino}benzoate has 1 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 methyl 4-{[(1,3-dimethyl-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)(phenyl)methyl]amino}benzoate?
The CAS number of methyl 4-{[(1,3-dimethyl-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)(phenyl)methyl]amino}benzoate is 312926-59-3.
What is the molecular formula of methyl 4-{[(1,3-dimethyl-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)(phenyl)methyl]amino}benzoate?
The molecular formula of methyl 4-{[(1,3-dimethyl-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)(phenyl)methyl]amino}benzoate is C21H19N3O5.
What is the molecular weight of methyl 4-{[(1,3-dimethyl-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)(phenyl)methyl]amino}benzoate?
The molecular weight of methyl 4-{[(1,3-dimethyl-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)(phenyl)methyl]amino}benzoate is 393.13 g/mol.
Where can I buy methyl 4-{[(1,3-dimethyl-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)(phenyl)methyl]amino}benzoate?
You can request a quote for methyl 4-{[(1,3-dimethyl-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)(phenyl)methyl]amino}benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 4-{[(1,3-dimethyl-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)(phenyl)methyl]amino}benzoate?
Yes, KEHONG BIO provides custom synthesis services for methyl 4-{[(1,3-dimethyl-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)(phenyl)methyl]amino}benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.