dimethyl 4,4'-((5-bromo-2,4-dioxopyrimidine-1,3(2H,4H)-diyl)bis(methylene))dibenzoate
TL;DR: dimethyl 4,4'-((5-bromo-2,4-dioxopyrimidine-1,3(2H,4H)-diyl)bis(methylene))dibenzoate (CAS 459187-85-0) is a chemical compound with molecular formula C22H19BrN2O6 and molecular weight 486.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[[5-bromo-3-[(4-methoxycarbonylphenyl)methyl]-2,4-dioxopyrimidin-1-yl]methyl]benzoate
Also Known As: dimethyl 4,4'-((5-bromo-2,4-dioxopyrimidine-1,3(2H,4H)-diyl)bis(methylene))dibenzoate, dimethyl 4,4'-[(5-bromo-2,4-dioxopyrimidine-1,3(2H,4H)-diyl)dimethanediyl]dibenzoate, methyl 4-[[5-bromo-3-[(4-methoxycarbonylphenyl)methyl]-2,4-dioxopyrimidin-1-yl]methyl]benzoate
| Molecular Formula | C22H19BrN2O6 |
|---|---|
| Molecular Weight | 486.04 g/mol |
| LogP | 2.4423 |
| Topological Polar Surface Area | 96.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 486.04266 |
| Heavy Atoms | 31 |
| Complexity | 1226.8413 |
Chemical Identifiers
| CAS Number | 459187-85-0 |
|---|---|
| SMILES | COC(=O)C1=CC=C(C=C1)CN2C=C(C(=O)N(C2=O)CC3=CC=C(C=C3)C(=O)OC)Br |
Product Overview
dimethyl 4,4'-((5-bromo-2,4-dioxopyrimidine-1,3(2H,4H)-diyl)bis(methylene))dibenzoate (CAS 459187-85-0), with molecular formula C22H19BrN2O6 and molecular weight 486.04 g/mol. IUPAC: methyl 4-[[5-bromo-3-[(4-methoxycarbonylphenyl)methyl]-2,4-dioxopyrimidin-1-yl]methyl]benzoate.
Chemical Property Profile of dimethyl 4,4'-((5-bromo-2,4-dioxopyrimidine-1,3(2H,4H)-diyl)bis(methylene))dibenzoate
Property Insights of dimethyl 4,4'-((5-bromo-2,4-dioxopyrimidine-1,3(2H,4H)-diyl)bis(methylene))dibenzoate
The XLogP value of 2.4423 suggests moderate lipophilicity, balancing water solubility and membrane permeability for dimethyl 4,4'-((5-bromo-2,4-dioxopyrimidine-1,3(2H,4H)-diyl)bis(methylene))dibenzoate. The TPSA of 96.6 Ų falls within the moderate polarity range, balancing permeability and solubility for dimethyl 4,4'-((5-bromo-2,4-dioxopyrimidine-1,3(2H,4H)-diyl)bis(methylene))dibenzoate. Following Lipinski's Rule of Five, dimethyl 4,4'-((5-bromo-2,4-dioxopyrimidine-1,3(2H,4H)-diyl)bis(methylene))dibenzoate has 0 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 dimethyl 4,4'-((5-bromo-2,4-dioxopyrimidine-1,3(2H,4H)-diyl)bis(methylene))dibenzoate?
The CAS number of dimethyl 4,4'-((5-bromo-2,4-dioxopyrimidine-1,3(2H,4H)-diyl)bis(methylene))dibenzoate is 459187-85-0.
What is the molecular formula of dimethyl 4,4'-((5-bromo-2,4-dioxopyrimidine-1,3(2H,4H)-diyl)bis(methylene))dibenzoate?
The molecular formula of dimethyl 4,4'-((5-bromo-2,4-dioxopyrimidine-1,3(2H,4H)-diyl)bis(methylene))dibenzoate is C22H19BrN2O6.
What is the molecular weight of dimethyl 4,4'-((5-bromo-2,4-dioxopyrimidine-1,3(2H,4H)-diyl)bis(methylene))dibenzoate?
The molecular weight of dimethyl 4,4'-((5-bromo-2,4-dioxopyrimidine-1,3(2H,4H)-diyl)bis(methylene))dibenzoate is 486.04 g/mol.
Where can I buy dimethyl 4,4'-((5-bromo-2,4-dioxopyrimidine-1,3(2H,4H)-diyl)bis(methylene))dibenzoate?
You can request a quote for dimethyl 4,4'-((5-bromo-2,4-dioxopyrimidine-1,3(2H,4H)-diyl)bis(methylene))dibenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for dimethyl 4,4'-((5-bromo-2,4-dioxopyrimidine-1,3(2H,4H)-diyl)bis(methylene))dibenzoate?
Yes, KEHONG BIO provides custom synthesis services for dimethyl 4,4'-((5-bromo-2,4-dioxopyrimidine-1,3(2H,4H)-diyl)bis(methylene))dibenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.