2-(3,5-Dibromo-4-butoxyphenyl)acetic acid
TL;DR: 2-(3,5-Dibromo-4-butoxyphenyl)acetic acid (CAS 340697-16-7) is a chemical compound with molecular formula C12H14Br2O3 and molecular weight 363.93 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3,5-dibromo-4-butoxyphenyl)acetic acid
Also Known As: Benzeneacetic acid, 3,5-dibromo-4-butoxy-, (3,5-Dibromo-4-butoxy-phenyl)-acetic acid, 2-(3,5-dibromo-4-butoxyphenyl)acetic acid, 2-(3,5-dibromo-4-butoxy-phenyl)acetic Acid, 3,5-Dibromo-4-alkoxyphenylalkanoic Acid, 9b
| Molecular Formula | C12H14Br2O3 |
|---|---|
| Molecular Weight | 363.93 g/mol |
| LogP | 4.0176 |
| Topological Polar Surface Area | 46.53 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 363.93097 |
| Heavy Atoms | 17 |
| Complexity | 381.73236 |
Chemical Identifiers
| CAS Number | 340697-16-7 |
|---|---|
| SMILES | CCCCOC1=C(C=C(C=C1Br)CC(=O)O)Br |
Product Overview
2-(3,5-Dibromo-4-butoxyphenyl)acetic acid (CAS 340697-16-7), with molecular formula C12H14Br2O3 and molecular weight 363.93 g/mol. IUPAC: 2-(3,5-dibromo-4-butoxyphenyl)acetic acid.
Chemical Property Profile of 2-(3,5-Dibromo-4-butoxyphenyl)acetic acid
Property Insights of 2-(3,5-Dibromo-4-butoxyphenyl)acetic acid
The XLogP value of 4.0176 indicates that 2-(3,5-Dibromo-4-butoxyphenyl)acetic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.53 Ų, 2-(3,5-Dibromo-4-butoxyphenyl)acetic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(3,5-Dibromo-4-butoxyphenyl)acetic 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-(3,5-Dibromo-4-butoxyphenyl)acetic acid?
The CAS number of 2-(3,5-Dibromo-4-butoxyphenyl)acetic acid is 340697-16-7.
What is the molecular formula of 2-(3,5-Dibromo-4-butoxyphenyl)acetic acid?
The molecular formula of 2-(3,5-Dibromo-4-butoxyphenyl)acetic acid is C12H14Br2O3.
What is the molecular weight of 2-(3,5-Dibromo-4-butoxyphenyl)acetic acid?
The molecular weight of 2-(3,5-Dibromo-4-butoxyphenyl)acetic acid is 363.93 g/mol.
Where can I buy 2-(3,5-Dibromo-4-butoxyphenyl)acetic acid?
You can request a quote for 2-(3,5-Dibromo-4-butoxyphenyl)acetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(3,5-Dibromo-4-butoxyphenyl)acetic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(3,5-Dibromo-4-butoxyphenyl)acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.