![1-[2-(4-Bromophenyl)-2-oxoethyl] 4-methyl terephthalate structure](/static/products/3067/306763-71-3.webp)
1-[2-(4-Bromophenyl)-2-oxoethyl] 4-methyl terephthalate
TL;DR: 1-[2-(4-Bromophenyl)-2-oxoethyl] 4-methyl terephthalate (CAS 306763-71-3) is a chemical compound with molecular formula C17H13BrO5 and molecular weight 375.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-O-[2-(4-bromophenyl)-2-oxoethyl] 1-O-methyl benzene-1,4-dicarboxylate
Also Known As: 1-[2-(4-bromophenyl)-2-oxoethyl] 4-methyl terephthalate, AB00074777-01, 2-(4-bromophenyl)-2-oxoethyl methyl terephthalate, 2-(4-bromophenyl)-2-oxoethyl 4-(methoxycarbonyl)benzoate, 4-O-[2-(4-bromophenyl)-2-oxoethyl] 1-O-methyl benzene-1,4-dicarboxylate
| Molecular Formula | C17H13BrO5 |
|---|---|
| Molecular Weight | 375.99 g/mol |
| LogP | 3.2754 |
| Topological Polar Surface Area | 69.67 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 375.99463 |
| Heavy Atoms | 23 |
| Complexity | 719.6539 |
Chemical Identifiers
| CAS Number | 306763-71-3 |
|---|---|
| SMILES | COC(=O)C1=CC=C(C=C1)C(=O)OCC(=O)C2=CC=C(C=C2)Br |
Product Overview
1-[2-(4-Bromophenyl)-2-oxoethyl] 4-methyl terephthalate (CAS 306763-71-3), with molecular formula C17H13BrO5 and molecular weight 375.99 g/mol. IUPAC: 4-O-[2-(4-bromophenyl)-2-oxoethyl] 1-O-methyl benzene-1,4-dicarboxylate.
Chemical Property Profile of 1-[2-(4-Bromophenyl)-2-oxoethyl] 4-methyl terephthalate
Property Insights of 1-[2-(4-Bromophenyl)-2-oxoethyl] 4-methyl terephthalate
The XLogP value of 3.2754 indicates that 1-[2-(4-Bromophenyl)-2-oxoethyl] 4-methyl terephthalate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.67 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-[2-(4-Bromophenyl)-2-oxoethyl] 4-methyl terephthalate. Following Lipinski's Rule of Five, 1-[2-(4-Bromophenyl)-2-oxoethyl] 4-methyl terephthalate has 0 hydrogen bond donor(s) and 5 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 1-[2-(4-Bromophenyl)-2-oxoethyl] 4-methyl terephthalate?
The CAS number of 1-[2-(4-Bromophenyl)-2-oxoethyl] 4-methyl terephthalate is 306763-71-3.
What is the molecular formula of 1-[2-(4-Bromophenyl)-2-oxoethyl] 4-methyl terephthalate?
The molecular formula of 1-[2-(4-Bromophenyl)-2-oxoethyl] 4-methyl terephthalate is C17H13BrO5.
What is the molecular weight of 1-[2-(4-Bromophenyl)-2-oxoethyl] 4-methyl terephthalate?
The molecular weight of 1-[2-(4-Bromophenyl)-2-oxoethyl] 4-methyl terephthalate is 375.99 g/mol.
Where can I buy 1-[2-(4-Bromophenyl)-2-oxoethyl] 4-methyl terephthalate?
You can request a quote for 1-[2-(4-Bromophenyl)-2-oxoethyl] 4-methyl terephthalate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-[2-(4-Bromophenyl)-2-oxoethyl] 4-methyl terephthalate?
Yes, KEHONG BIO provides custom synthesis services for 1-[2-(4-Bromophenyl)-2-oxoethyl] 4-methyl terephthalate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.