4-(Allyloxy)-3-bromobenzoic acid
TL;DR: 4-(Allyloxy)-3-bromobenzoic acid (CAS 886643-00-1) 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.
3-bromo-4-prop-2-enoxybenzoic acid
Also Known As: 4-(allyloxy)-3-bromobenzoic acid, 3-bromo-4-prop-2-enoxybenzoic acid, 3-bromo-4-(prop-2-en-1-yloxy)benzoic acid, 4-(allyloxy)-3-bromobenzoicacid, 4-allyloxy-3-bromo-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 | 886643-00-1 |
|---|---|
| SMILES | C=CCOC1=C(C=C(C=C1)C(=O)O)Br |
Product Overview
4-(Allyloxy)-3-bromobenzoic acid (CAS 886643-00-1), with molecular formula C10H9BrO3 and molecular weight 255.97 g/mol. IUPAC: 3-bromo-4-prop-2-enoxybenzoic acid.
Chemical Property Profile of 4-(Allyloxy)-3-bromobenzoic acid
Property Insights of 4-(Allyloxy)-3-bromobenzoic acid
The XLogP value of 2.7121 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(Allyloxy)-3-bromobenzoic acid. With a topological polar surface area (TPSA) of 46.53 Ų, 4-(Allyloxy)-3-bromobenzoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(Allyloxy)-3-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 4-(Allyloxy)-3-bromobenzoic acid?
The CAS number of 4-(Allyloxy)-3-bromobenzoic acid is 886643-00-1.
What is the molecular formula of 4-(Allyloxy)-3-bromobenzoic acid?
The molecular formula of 4-(Allyloxy)-3-bromobenzoic acid is C10H9BrO3.
What is the molecular weight of 4-(Allyloxy)-3-bromobenzoic acid?
The molecular weight of 4-(Allyloxy)-3-bromobenzoic acid is 255.97 g/mol.
Where can I buy 4-(Allyloxy)-3-bromobenzoic acid?
You can request a quote for 4-(Allyloxy)-3-bromobenzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(Allyloxy)-3-bromobenzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-(Allyloxy)-3-bromobenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.