![methyl 4-{[(1,3-dimethyl-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl]amino}benzoate structure](/static/products/2058/205809-92-3.webp)
methyl 4-{[(1,3-dimethyl-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl]amino}benzoate
TL;DR: methyl 4-{[(1,3-dimethyl-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl]amino}benzoate (CAS 205809-92-3) is a chemical compound with molecular formula C15H15N3O5 and molecular weight 317.10 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)methylideneamino]benzoate
Also Known As: methyl 4-{[(1,3-dimethyl-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl]amino}benzoate, methyl 4-[(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)methylamino]benzoate, METHYL 4-({[1,3-DIMETHYL-2,4,6-TRIOXOTETRAHYDRO-5(2H)-PYRIMIDINYLIDEN]METHYL}AMINO)BENZOATE, methyl 4-{[(1,3-dimethyl-2,4,6-trioxo-1,3-dihydropyrimidin-5-ylidene)methyl]am ino}benzoate
| Molecular Formula | C15H15N3O5 |
|---|---|
| Molecular Weight | 317.10 g/mol |
| LogP | 0.3268 |
| Topological Polar Surface Area | 102.89 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 317.10117 |
| Heavy Atoms | 23 |
| Complexity | 891.05396 |
Chemical Identifiers
| CAS Number | 205809-92-3 |
|---|---|
| SMILES | CN1C(=C(C(=O)N(C1=O)C)C=NC2=CC=C(C=C2)C(=O)OC)O |
Product Overview
methyl 4-{[(1,3-dimethyl-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl]amino}benzoate (CAS 205809-92-3), with molecular formula C15H15N3O5 and molecular weight 317.10 g/mol. IUPAC: methyl 4-[(4-hydroxy-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)methylideneamino]benzoate.
Chemical Property Profile of methyl 4-{[(1,3-dimethyl-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl]amino}benzoate
Property Insights of methyl 4-{[(1,3-dimethyl-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl]amino}benzoate
The XLogP value of 0.3268 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 4-{[(1,3-dimethyl-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)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)methyl]amino}benzoate. Following Lipinski's Rule of Five, methyl 4-{[(1,3-dimethyl-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)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)methyl]amino}benzoate?
The CAS number of methyl 4-{[(1,3-dimethyl-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl]amino}benzoate is 205809-92-3.
What is the molecular formula of methyl 4-{[(1,3-dimethyl-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl]amino}benzoate?
The molecular formula of methyl 4-{[(1,3-dimethyl-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl]amino}benzoate is C15H15N3O5.
What is the molecular weight of methyl 4-{[(1,3-dimethyl-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl]amino}benzoate?
The molecular weight of methyl 4-{[(1,3-dimethyl-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl]amino}benzoate is 317.10 g/mol.
Where can I buy methyl 4-{[(1,3-dimethyl-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl]amino}benzoate?
You can request a quote for methyl 4-{[(1,3-dimethyl-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)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)methyl]amino}benzoate?
Yes, KEHONG BIO provides custom synthesis services for methyl 4-{[(1,3-dimethyl-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl]amino}benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.