Benzyl 2,5-dibromobenzoate
TL;DR: Benzyl 2,5-dibromobenzoate (CAS 485832-16-4) is a chemical compound with molecular formula C14H10Br2O2 and molecular weight 367.90 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl 2,5-dibromobenzoate
Also Known As: benzyl 2,5-dibromobenzoate, Phenylmethyl 2,5-dibromobenzoate, AN-652/43163394
| Molecular Formula | C14H10Br2O2 |
|---|---|
| Molecular Weight | 367.90 g/mol |
| LogP | 4.5686 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 367.90475 |
| Heavy Atoms | 18 |
| Complexity | 552.9754 |
Chemical Identifiers
| CAS Number | 485832-16-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)COC(=O)C2=C(C=CC(=C2)Br)Br |
Product Overview
Benzyl 2,5-dibromobenzoate (CAS 485832-16-4), with molecular formula C14H10Br2O2 and molecular weight 367.90 g/mol. IUPAC: benzyl 2,5-dibromobenzoate.
Chemical Property Profile of Benzyl 2,5-dibromobenzoate
Property Insights of Benzyl 2,5-dibromobenzoate
The XLogP value of 4.5686 indicates that Benzyl 2,5-dibromobenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Benzyl 2,5-dibromobenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzyl 2,5-dibromobenzoate has 0 hydrogen bond donor(s) and 2 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 Benzyl 2,5-dibromobenzoate?
The CAS number of Benzyl 2,5-dibromobenzoate is 485832-16-4.
What is the molecular formula of Benzyl 2,5-dibromobenzoate?
The molecular formula of Benzyl 2,5-dibromobenzoate is C14H10Br2O2.
What is the molecular weight of Benzyl 2,5-dibromobenzoate?
The molecular weight of Benzyl 2,5-dibromobenzoate is 367.90 g/mol.
Where can I buy Benzyl 2,5-dibromobenzoate?
You can request a quote for Benzyl 2,5-dibromobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzyl 2,5-dibromobenzoate?
Yes, KEHONG BIO provides custom synthesis services for Benzyl 2,5-dibromobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.