5-Bromo-2-isopropoxybenzoic acid
TL;DR: 5-Bromo-2-isopropoxybenzoic acid (CAS 62176-16-3) is a chemical compound with molecular formula C10H11BrO3 and molecular weight 257.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-bromo-2-propan-2-yloxybenzoic acid
Also Known As: 5-bromo-2-isopropoxybenzoic acid, 5-bromo-2-propan-2-yloxybenzoic acid, 5-bromo-2-(propan-2-yloxy)benzoic acid, 5-bromo-2-isopropoxybenzoicacid, 5-bromo-2-isopropoxy-benzoic acid
| Molecular Formula | C10H11BrO3 |
|---|---|
| Molecular Weight | 257.99 g/mol |
| LogP | 2.9345 |
| Topological Polar Surface Area | 46.53 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 257.98917 |
| Heavy Atoms | 14 |
| Complexity | 347.2204 |
Chemical Identifiers
| CAS Number | 62176-16-3 |
|---|---|
| SMILES | CC(C)OC1=C(C=C(C=C1)Br)C(=O)O |
Product Overview
5-Bromo-2-isopropoxybenzoic acid (CAS 62176-16-3), with molecular formula C10H11BrO3 and molecular weight 257.99 g/mol. IUPAC: 5-bromo-2-propan-2-yloxybenzoic acid.
Chemical Property Profile of 5-Bromo-2-isopropoxybenzoic acid
Property Insights of 5-Bromo-2-isopropoxybenzoic acid
The XLogP value of 2.9345 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Bromo-2-isopropoxybenzoic acid. With a topological polar surface area (TPSA) of 46.53 Ų, 5-Bromo-2-isopropoxybenzoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Bromo-2-isopropoxybenzoic acid has 1 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 5-Bromo-2-isopropoxybenzoic acid?
The CAS number of 5-Bromo-2-isopropoxybenzoic acid is 62176-16-3.
What is the molecular formula of 5-Bromo-2-isopropoxybenzoic acid?
The molecular formula of 5-Bromo-2-isopropoxybenzoic acid is C10H11BrO3.
What is the molecular weight of 5-Bromo-2-isopropoxybenzoic acid?
The molecular weight of 5-Bromo-2-isopropoxybenzoic acid is 257.99 g/mol.
Where can I buy 5-Bromo-2-isopropoxybenzoic acid?
You can request a quote for 5-Bromo-2-isopropoxybenzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Bromo-2-isopropoxybenzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 5-Bromo-2-isopropoxybenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.