2-(4-Bromophenyl)-1,3-dioxan-5-yl 4-bromobenzoate
TL;DR: 2-(4-Bromophenyl)-1,3-dioxan-5-yl 4-bromobenzoate (CAS 290840-05-0) is a chemical compound with molecular formula C17H14Br2O4 and molecular weight 439.93 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(4-bromophenyl)-1,3-dioxan-5-yl] 4-bromobenzoate
Also Known As: ChemDiv3_000992, IDI1_019958, 2-(4-bromophenyl)-1,3-dioxan-5-yl 4-bromobenzoate, [2-(4-bromophenyl)-1,3-dioxan-5-yl] 4-bromobenzoate
| Molecular Formula | C17H14Br2O4 |
|---|---|
| Molecular Weight | 439.93 g/mol |
| LogP | 4.4826 |
| Topological Polar Surface Area | 44.76 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 439.92587 |
| Heavy Atoms | 23 |
| Complexity | 661.9977 |
Chemical Identifiers
| CAS Number | 290840-05-0 |
|---|---|
| SMILES | C1C(COC(O1)C2=CC=C(C=C2)Br)OC(=O)C3=CC=C(C=C3)Br |
Product Overview
2-(4-Bromophenyl)-1,3-dioxan-5-yl 4-bromobenzoate (CAS 290840-05-0), with molecular formula C17H14Br2O4 and molecular weight 439.93 g/mol. IUPAC: [2-(4-bromophenyl)-1,3-dioxan-5-yl] 4-bromobenzoate.
Chemical Property Profile of 2-(4-Bromophenyl)-1,3-dioxan-5-yl 4-bromobenzoate
Property Insights of 2-(4-Bromophenyl)-1,3-dioxan-5-yl 4-bromobenzoate
The XLogP value of 4.4826 indicates that 2-(4-Bromophenyl)-1,3-dioxan-5-yl 4-bromobenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 44.76 Ų, 2-(4-Bromophenyl)-1,3-dioxan-5-yl 4-bromobenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(4-Bromophenyl)-1,3-dioxan-5-yl 4-bromobenzoate has 0 hydrogen bond donor(s) and 4 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 2-(4-Bromophenyl)-1,3-dioxan-5-yl 4-bromobenzoate?
The CAS number of 2-(4-Bromophenyl)-1,3-dioxan-5-yl 4-bromobenzoate is 290840-05-0.
What is the molecular formula of 2-(4-Bromophenyl)-1,3-dioxan-5-yl 4-bromobenzoate?
The molecular formula of 2-(4-Bromophenyl)-1,3-dioxan-5-yl 4-bromobenzoate is C17H14Br2O4.
What is the molecular weight of 2-(4-Bromophenyl)-1,3-dioxan-5-yl 4-bromobenzoate?
The molecular weight of 2-(4-Bromophenyl)-1,3-dioxan-5-yl 4-bromobenzoate is 439.93 g/mol.
Where can I buy 2-(4-Bromophenyl)-1,3-dioxan-5-yl 4-bromobenzoate?
You can request a quote for 2-(4-Bromophenyl)-1,3-dioxan-5-yl 4-bromobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(4-Bromophenyl)-1,3-dioxan-5-yl 4-bromobenzoate?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-Bromophenyl)-1,3-dioxan-5-yl 4-bromobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.