2,6-Dibromo-4-formylphenyl benzoate
TL;DR: 2,6-Dibromo-4-formylphenyl benzoate (CAS 413595-23-0) is a chemical compound with molecular formula C14H8Br2O3 and molecular weight 381.88 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2,6-dibromo-4-formylphenyl) benzoate
Also Known As: 2,6-dibromo-4-formylphenyl benzoate, (2,6-dibromo-4-formylphenyl) benzoate, benzaldehyde, 4-(benzoyloxy)-3,5-dibromo-
| Molecular Formula | C14H8Br2O3 |
|---|---|
| Molecular Weight | 381.88 g/mol |
| LogP | 4.2433 |
| Topological Polar Surface Area | 43.37 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 381.88403 |
| Heavy Atoms | 19 |
| Complexity | 600.83826 |
Chemical Identifiers
| CAS Number | 413595-23-0 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)OC2=C(C=C(C=C2Br)C=O)Br |
Product Overview
2,6-Dibromo-4-formylphenyl benzoate (CAS 413595-23-0), with molecular formula C14H8Br2O3 and molecular weight 381.88 g/mol. IUPAC: (2,6-dibromo-4-formylphenyl) benzoate.
Chemical Property Profile of 2,6-Dibromo-4-formylphenyl benzoate
Property Insights of 2,6-Dibromo-4-formylphenyl benzoate
The XLogP value of 4.2433 indicates that 2,6-Dibromo-4-formylphenyl benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.37 Ų, 2,6-Dibromo-4-formylphenyl benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,6-Dibromo-4-formylphenyl benzoate has 0 hydrogen bond donor(s) and 3 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 2,6-Dibromo-4-formylphenyl benzoate?
The CAS number of 2,6-Dibromo-4-formylphenyl benzoate is 413595-23-0.
What is the molecular formula of 2,6-Dibromo-4-formylphenyl benzoate?
The molecular formula of 2,6-Dibromo-4-formylphenyl benzoate is C14H8Br2O3.
What is the molecular weight of 2,6-Dibromo-4-formylphenyl benzoate?
The molecular weight of 2,6-Dibromo-4-formylphenyl benzoate is 381.88 g/mol.
Where can I buy 2,6-Dibromo-4-formylphenyl benzoate?
You can request a quote for 2,6-Dibromo-4-formylphenyl benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,6-Dibromo-4-formylphenyl benzoate?
Yes, KEHONG BIO provides custom synthesis services for 2,6-Dibromo-4-formylphenyl benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.