![methyl 4-[(1,3-dicyclohexyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)methylamino]benzoate structure](/static/products/371/371926-68-0.png)
methyl 4-[(1,3-dicyclohexyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)methylamino]benzoate
TL;DR: methyl 4-[(1,3-dicyclohexyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)methylamino]benzoate (CAS 371926-68-0) is a chemical compound with molecular formula C25H31N3O5 and molecular weight 453.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[(1,3-dicyclohexyl-4-hydroxy-2,6-dioxopyrimidin-5-yl)methylideneamino]benzoate
Also Known As: methyl 4-[(1,3-dicyclohexyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)methylamino]benzoate, methyl 4-(((1,3-dicyclohexyl-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)amino)benzoate, methyl 4-{[(1,3-dicyclohexyl-2,4,6-trioxotetrahydro-5(2H)-pyrimidinylidene)methyl]amino}benzoate, methyl 4-{[(1,3-dicyclohexyl-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl]amino}benzoate
| Molecular Formula | C25H31N3O5 |
|---|---|
| Molecular Weight | 453.23 g/mol |
| LogP | 4.2632 |
| Topological Polar Surface Area | 102.89 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 453.22638 |
| Heavy Atoms | 33 |
| Complexity | 1134.3579 |
Chemical Identifiers
| CAS Number | 371926-68-0 |
|---|---|
| SMILES | COC(=O)C1=CC=C(C=C1)N=CC2=C(N(C(=O)N(C2=O)C3CCCCC3)C4CCCCC4)O |
Product Overview
methyl 4-[(1,3-dicyclohexyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)methylamino]benzoate (CAS 371926-68-0), with molecular formula C25H31N3O5 and molecular weight 453.23 g/mol. IUPAC: methyl 4-[(1,3-dicyclohexyl-4-hydroxy-2,6-dioxopyrimidin-5-yl)methylideneamino]benzoate.
Chemical Property Profile of methyl 4-[(1,3-dicyclohexyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)methylamino]benzoate
Property Insights of methyl 4-[(1,3-dicyclohexyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)methylamino]benzoate
The XLogP value of 4.2632 indicates that methyl 4-[(1,3-dicyclohexyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)methylamino]benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 102.89 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 4-[(1,3-dicyclohexyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)methylamino]benzoate. Following Lipinski's Rule of Five, methyl 4-[(1,3-dicyclohexyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)methylamino]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-dicyclohexyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)methylamino]benzoate?
The CAS number of methyl 4-[(1,3-dicyclohexyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)methylamino]benzoate is 371926-68-0.
What is the molecular formula of methyl 4-[(1,3-dicyclohexyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)methylamino]benzoate?
The molecular formula of methyl 4-[(1,3-dicyclohexyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)methylamino]benzoate is C25H31N3O5.
What is the molecular weight of methyl 4-[(1,3-dicyclohexyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)methylamino]benzoate?
The molecular weight of methyl 4-[(1,3-dicyclohexyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)methylamino]benzoate is 453.23 g/mol.
Where can I buy methyl 4-[(1,3-dicyclohexyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)methylamino]benzoate?
You can request a quote for methyl 4-[(1,3-dicyclohexyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)methylamino]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-dicyclohexyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)methylamino]benzoate?
Yes, KEHONG BIO provides custom synthesis services for methyl 4-[(1,3-dicyclohexyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)methylamino]benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.