Benzoic acid, 3,5-dibromo-4-hydroxy-, ethyl ester
TL;DR: Benzoic acid, 3,5-dibromo-4-hydroxy-, ethyl ester (CAS 55771-81-8) is a chemical compound with molecular formula C9H8Br2O3 and molecular weight 321.88403 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 3,5-dibromo-4-hydroxybenzoate
Also Known As: Ethyl 3,5-dibromo-4-hydroxybenzoate, Ethyl 4-hydroxy-3,5-dibromobenzoate, NCIOpen2_009306, Ethyl3,5-dibromo-4-hydroxybenzoate, Benzoic acid, 3,5-dibromo-4-hydroxy-, ethyl ester
Technical Specifications
| Molecular Formula | C9H8Br2O3 |
| Molecular Weight | 321.88403 g/mol |
| XLogP | 3.4 |
| Topological Polar Surface Area (TPSA) | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 323.88196 Da |
| Heavy Atoms | 14 |
| Complexity | 198.0 |
| SMILES | CCOC(=O)C1=CC(=C(C(=C1)Br)O)Br |
| InChIKey | RLKDCOVOJVJVFI-UHFFFAOYSA-N |
Chemical Property Profile of Benzoic acid, 3,5-dibromo-4-hydroxy-, ethyl ester
Property Insights of Benzoic acid, 3,5-dibromo-4-hydroxy-, ethyl ester
The XLogP value of 3.4 indicates that Benzoic acid, 3,5-dibromo-4-hydroxy-, ethyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.5 Ų, Benzoic acid, 3,5-dibromo-4-hydroxy-, ethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzoic acid, 3,5-dibromo-4-hydroxy-, ethyl ester has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Benzoic acid, 3,5-dibromo-4-hydroxy-, ethyl ester?
The CAS number of Benzoic acid, 3,5-dibromo-4-hydroxy-, ethyl ester is 55771-81-8.
What is the molecular formula of Benzoic acid, 3,5-dibromo-4-hydroxy-, ethyl ester?
The molecular formula of Benzoic acid, 3,5-dibromo-4-hydroxy-, ethyl ester is C9H8Br2O3.
What is the molecular weight of Benzoic acid, 3,5-dibromo-4-hydroxy-, ethyl ester?
The molecular weight of Benzoic acid, 3,5-dibromo-4-hydroxy-, ethyl ester is 321.88403 g/mol.
Where can I buy Benzoic acid, 3,5-dibromo-4-hydroxy-, ethyl ester?
You can request a quote for Benzoic acid, 3,5-dibromo-4-hydroxy-, ethyl ester directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Benzoic acid, 3,5-dibromo-4-hydroxy-, ethyl ester?
Yes, CoreyChem provides custom synthesis services for Benzoic acid, 3,5-dibromo-4-hydroxy-, ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.