![methyl 2-chloro-5-{[(1-(4-chlorophenyl)-2,4,6-trioxotetrahydro-5(2H)-pyrimidinylidene)methyl]amino}benzoate structure](/static/products/3545/354545-69-0.webp)
methyl 2-chloro-5-{[(1-(4-chlorophenyl)-2,4,6-trioxotetrahydro-5(2H)-pyrimidinylidene)methyl]amino}benzoate
TL;DR: methyl 2-chloro-5-{[(1-(4-chlorophenyl)-2,4,6-trioxotetrahydro-5(2H)-pyrimidinylidene)methyl]amino}benzoate (CAS 354545-69-0) is a chemical compound with molecular formula C19H13Cl2N3O5 and molecular weight 433.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-chloro-5-[[1-(4-chlorophenyl)-6-hydroxy-2,4-dioxopyrimidin-5-yl]methylideneamino]benzoate
Also Known As: methyl 2-chloro-5-{[(1-(4-chlorophenyl)-2,4,6-trioxotetrahydro-5(2H)-pyrimidinylidene)methyl]amino}benzoate, (Z)-methyl 2-chloro-5-(((1-(4-chlorophenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)amino)benzoate, methyl 2-chloro-5-({(Z)-[1-(4-chlorophenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}amino)benzoate, METHYL 2-CHLORO-5-({[1-(4-CHLOROPHENYL)-2,4,6-TRIOXOTETRAHYDRO-5(2H)-PYRIMIDINYLIDEN]METHYL}AMINO)BENZOATE, methyl 2-chloro-5-[[(E)-[1-(4-chlorophenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]amino]benzoate
| Molecular Formula | C19H13Cl2N3O5 |
|---|---|
| Molecular Weight | 433.02 g/mol |
| LogP | 3.0754 |
| Topological Polar Surface Area | 113.75 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 433.02322 |
| Heavy Atoms | 29 |
| Complexity | 1230.0725 |
Chemical Identifiers
| CAS Number | 354545-69-0 |
|---|---|
| SMILES | COC(=O)C1=C(C=CC(=C1)N=CC2=C(N(C(=O)NC2=O)C3=CC=C(C=C3)Cl)O)Cl |
Product Overview
methyl 2-chloro-5-{[(1-(4-chlorophenyl)-2,4,6-trioxotetrahydro-5(2H)-pyrimidinylidene)methyl]amino}benzoate (CAS 354545-69-0), with molecular formula C19H13Cl2N3O5 and molecular weight 433.02 g/mol. IUPAC: methyl 2-chloro-5-[[1-(4-chlorophenyl)-6-hydroxy-2,4-dioxopyrimidin-5-yl]methylideneamino]benzoate.
Chemical Property Profile of methyl 2-chloro-5-{[(1-(4-chlorophenyl)-2,4,6-trioxotetrahydro-5(2H)-pyrimidinylidene)methyl]amino}benzoate
Property Insights of methyl 2-chloro-5-{[(1-(4-chlorophenyl)-2,4,6-trioxotetrahydro-5(2H)-pyrimidinylidene)methyl]amino}benzoate
The XLogP value of 3.0754 indicates that methyl 2-chloro-5-{[(1-(4-chlorophenyl)-2,4,6-trioxotetrahydro-5(2H)-pyrimidinylidene)methyl]amino}benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 113.75 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 2-chloro-5-{[(1-(4-chlorophenyl)-2,4,6-trioxotetrahydro-5(2H)-pyrimidinylidene)methyl]amino}benzoate. Following Lipinski's Rule of Five, methyl 2-chloro-5-{[(1-(4-chlorophenyl)-2,4,6-trioxotetrahydro-5(2H)-pyrimidinylidene)methyl]amino}benzoate 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 methyl 2-chloro-5-{[(1-(4-chlorophenyl)-2,4,6-trioxotetrahydro-5(2H)-pyrimidinylidene)methyl]amino}benzoate?
The CAS number of methyl 2-chloro-5-{[(1-(4-chlorophenyl)-2,4,6-trioxotetrahydro-5(2H)-pyrimidinylidene)methyl]amino}benzoate is 354545-69-0.
What is the molecular formula of methyl 2-chloro-5-{[(1-(4-chlorophenyl)-2,4,6-trioxotetrahydro-5(2H)-pyrimidinylidene)methyl]amino}benzoate?
The molecular formula of methyl 2-chloro-5-{[(1-(4-chlorophenyl)-2,4,6-trioxotetrahydro-5(2H)-pyrimidinylidene)methyl]amino}benzoate is C19H13Cl2N3O5.
What is the molecular weight of methyl 2-chloro-5-{[(1-(4-chlorophenyl)-2,4,6-trioxotetrahydro-5(2H)-pyrimidinylidene)methyl]amino}benzoate?
The molecular weight of methyl 2-chloro-5-{[(1-(4-chlorophenyl)-2,4,6-trioxotetrahydro-5(2H)-pyrimidinylidene)methyl]amino}benzoate is 433.02 g/mol.
Where can I buy methyl 2-chloro-5-{[(1-(4-chlorophenyl)-2,4,6-trioxotetrahydro-5(2H)-pyrimidinylidene)methyl]amino}benzoate?
You can request a quote for methyl 2-chloro-5-{[(1-(4-chlorophenyl)-2,4,6-trioxotetrahydro-5(2H)-pyrimidinylidene)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 2-chloro-5-{[(1-(4-chlorophenyl)-2,4,6-trioxotetrahydro-5(2H)-pyrimidinylidene)methyl]amino}benzoate?
Yes, KEHONG BIO provides custom synthesis services for methyl 2-chloro-5-{[(1-(4-chlorophenyl)-2,4,6-trioxotetrahydro-5(2H)-pyrimidinylidene)methyl]amino}benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.