Benzoic acid, 3,5-dibromo-2-hydroxy-, methyl ester
TL;DR: Benzoic acid, 3,5-dibromo-2-hydroxy-, methyl ester (CAS 21702-79-4) is a chemical compound with molecular formula C8H6Br2O3 and molecular weight 307.87 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3,5-dibromo-2-hydroxybenzoate
Also Known As: Methyl 3,5-dibromo-2-hydroxybenzoate, TIMTEC-BB SBB001273, 3-bromo-4-hydroxyacetophenone, METHYL 3,5-DIBROMOSALICYLATE, RARECHEM AL BF 0030
| Molecular Formula | C8H6Br2O3 |
|---|---|
| Molecular Weight | 307.87 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 307.86838 |
| Heavy Atoms | 13 |
| Complexity | 198.0 |
Chemical Identifiers
| CAS Number | 21702-79-4 |
|---|---|
| SMILES | COC(=O)C1=C(C(=CC(=C1)Br)Br)O |
| InChIKey | KISQISIKTRRMOX-UHFFFAOYSA-N |
Product Overview
Benzoic acid, 3,5-dibromo-2-hydroxy-, methyl ester (CAS 21702-79-4), with molecular formula C8H6Br2O3 and molecular weight 307.87 g/mol. IUPAC: methyl 3,5-dibromo-2-hydroxybenzoate.
Chemical Property Profile of Benzoic acid, 3,5-dibromo-2-hydroxy-, methyl ester
Property Insights of Benzoic acid, 3,5-dibromo-2-hydroxy-, methyl ester
The XLogP value of 3.4 indicates that Benzoic acid, 3,5-dibromo-2-hydroxy-, methyl 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-2-hydroxy-, methyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzoic acid, 3,5-dibromo-2-hydroxy-, methyl 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
Frequently Asked Questions
What is the CAS number of Benzoic acid, 3,5-dibromo-2-hydroxy-, methyl ester?
The CAS number of Benzoic acid, 3,5-dibromo-2-hydroxy-, methyl ester is 21702-79-4.
What is the molecular formula of Benzoic acid, 3,5-dibromo-2-hydroxy-, methyl ester?
The molecular formula of Benzoic acid, 3,5-dibromo-2-hydroxy-, methyl ester is C8H6Br2O3.
What is the molecular weight of Benzoic acid, 3,5-dibromo-2-hydroxy-, methyl ester?
The molecular weight of Benzoic acid, 3,5-dibromo-2-hydroxy-, methyl ester is 307.87 g/mol.
Where can I buy Benzoic acid, 3,5-dibromo-2-hydroxy-, methyl ester?
You can request a quote for Benzoic acid, 3,5-dibromo-2-hydroxy-, methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzoic acid, 3,5-dibromo-2-hydroxy-, methyl ester?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, 3,5-dibromo-2-hydroxy-, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.