2-Allyloxy-5-bromobenzoic acid
TL;DR: 2-Allyloxy-5-bromobenzoic acid (CAS 62176-23-2) is a chemical compound with molecular formula C10H9BrO3 and molecular weight 255.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-bromo-2-prop-2-enoxybenzoic acid
Also Known As: 2-allyloxy-5-bromobenzoic acid, 2-Allyloxy-5-bromo-benzoic acid, 5-bromo-2-prop-2-enoxybenzoic acid, Benzoic acid, 5-bromo-2-(2-propenyloxy)-, 5-bromo-2-prop-2-enoxy-benzoic Acid
| Molecular Formula | C10H9BrO3 |
|---|---|
| Molecular Weight | 255.97 g/mol |
| LogP | 2.7121 |
| Topological Polar Surface Area | 46.53 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 255.97351 |
| Heavy Atoms | 14 |
| Complexity | 360.3848 |
Chemical Identifiers
| CAS Number | 62176-23-2 |
|---|---|
| SMILES | C=CCOC1=C(C=C(C=C1)Br)C(=O)O |
Product Overview
2-Allyloxy-5-bromobenzoic acid (CAS 62176-23-2), with molecular formula C10H9BrO3 and molecular weight 255.97 g/mol. IUPAC: 5-bromo-2-prop-2-enoxybenzoic acid.
Chemical Property Profile of 2-Allyloxy-5-bromobenzoic acid
Property Insights of 2-Allyloxy-5-bromobenzoic acid
The XLogP value of 2.7121 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Allyloxy-5-bromobenzoic acid. With a topological polar surface area (TPSA) of 46.53 Ų, 2-Allyloxy-5-bromobenzoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Allyloxy-5-bromobenzoic 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 2-Allyloxy-5-bromobenzoic acid?
The CAS number of 2-Allyloxy-5-bromobenzoic acid is 62176-23-2.
What is the molecular formula of 2-Allyloxy-5-bromobenzoic acid?
The molecular formula of 2-Allyloxy-5-bromobenzoic acid is C10H9BrO3.
What is the molecular weight of 2-Allyloxy-5-bromobenzoic acid?
The molecular weight of 2-Allyloxy-5-bromobenzoic acid is 255.97 g/mol.
Where can I buy 2-Allyloxy-5-bromobenzoic acid?
You can request a quote for 2-Allyloxy-5-bromobenzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Allyloxy-5-bromobenzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-Allyloxy-5-bromobenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.