5-(3-Bromo-4,5-dimethoxyphenyl)pentanoic acid
TL;DR: 5-(3-Bromo-4,5-dimethoxyphenyl)pentanoic acid (CAS 69557-82-0) is a chemical compound with molecular formula C13H17BrO4 and molecular weight 316.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(3-bromo-4,5-dimethoxyphenyl)pentanoic acid
Also Known As: 5-(3-bromo-4,5-dimethoxyphenyl)pentanoic acid, 5-(3-bromo-4,5-dimethoxy-phenyl)pentanoic acid
| Molecular Formula | C13H17BrO4 |
|---|---|
| Molecular Weight | 316.03 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 55.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 316.031 |
| Heavy Atoms | 18 |
| Complexity | 259.0 |
Chemical Identifiers
| CAS Number | 69557-82-0 |
|---|---|
| SMILES | COC1=C(C(=CC(=C1)CCCCC(=O)O)Br)OC |
| InChIKey | UXDBBXNONLXSDM-UHFFFAOYSA-N |
Product Overview
5-(3-Bromo-4,5-dimethoxyphenyl)pentanoic acid (CAS 69557-82-0), with molecular formula C13H17BrO4 and molecular weight 316.03 g/mol. IUPAC: 5-(3-bromo-4,5-dimethoxyphenyl)pentanoic acid.
Chemical Property Profile of 5-(3-Bromo-4,5-dimethoxyphenyl)pentanoic acid
Property Insights of 5-(3-Bromo-4,5-dimethoxyphenyl)pentanoic acid
The XLogP value of 3.2 indicates that 5-(3-Bromo-4,5-dimethoxyphenyl)pentanoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.8 Ų, 5-(3-Bromo-4,5-dimethoxyphenyl)pentanoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-(3-Bromo-4,5-dimethoxyphenyl)pentanoic acid has 1 hydrogen bond donor(s) and 4 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-(3-Bromo-4,5-dimethoxyphenyl)pentanoic acid?
The CAS number of 5-(3-Bromo-4,5-dimethoxyphenyl)pentanoic acid is 69557-82-0.
What is the molecular formula of 5-(3-Bromo-4,5-dimethoxyphenyl)pentanoic acid?
The molecular formula of 5-(3-Bromo-4,5-dimethoxyphenyl)pentanoic acid is C13H17BrO4.
What is the molecular weight of 5-(3-Bromo-4,5-dimethoxyphenyl)pentanoic acid?
The molecular weight of 5-(3-Bromo-4,5-dimethoxyphenyl)pentanoic acid is 316.03 g/mol.
Where can I buy 5-(3-Bromo-4,5-dimethoxyphenyl)pentanoic acid?
You can request a quote for 5-(3-Bromo-4,5-dimethoxyphenyl)pentanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(3-Bromo-4,5-dimethoxyphenyl)pentanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 5-(3-Bromo-4,5-dimethoxyphenyl)pentanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.