(2-Bromo-4,5-diethoxyphenyl)acetic acid
TL;DR: (2-Bromo-4,5-diethoxyphenyl)acetic acid (CAS 100388-17-8) is a chemical compound with molecular formula C12H15BrO4 and molecular weight 302.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-bromo-4,5-diethoxyphenyl)acetic acid
Also Known As: (2-bromo-4,5-diethoxyphenyl)acetic acid, 2-(2-bromo-4,5-diethoxyphenyl)acetic acid, 2-Bromo-4,5-diethoxyphenylacetic Acid, 2-(2-bromo-4,5-diethoxy-phenyl)acetic Acid, 2-(2-bromo-4,5-diethoxyphenyl)aceticacid
| Molecular Formula | C12H15BrO4 |
|---|---|
| Molecular Weight | 302.02 g/mol |
| LogP | 2.8736 |
| Topological Polar Surface Area | 55.76 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 302.01538 |
| Heavy Atoms | 17 |
| Complexity | 403.73724 |
Chemical Identifiers
| CAS Number | 100388-17-8 |
|---|---|
| SMILES | CCOC1=C(C=C(C(=C1)CC(=O)O)Br)OCC |
Product Overview
(2-Bromo-4,5-diethoxyphenyl)acetic acid (CAS 100388-17-8), with molecular formula C12H15BrO4 and molecular weight 302.02 g/mol. IUPAC: 2-(2-bromo-4,5-diethoxyphenyl)acetic acid.
Chemical Property Profile of (2-Bromo-4,5-diethoxyphenyl)acetic acid
Property Insights of (2-Bromo-4,5-diethoxyphenyl)acetic acid
The XLogP value of 2.8736 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2-Bromo-4,5-diethoxyphenyl)acetic acid. With a topological polar surface area (TPSA) of 55.76 Ų, (2-Bromo-4,5-diethoxyphenyl)acetic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (2-Bromo-4,5-diethoxyphenyl)acetic acid has 1 hydrogen bond donor(s) and 3 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-Bromo-4,5-diethoxyphenyl)acetic acid?
The CAS number of (2-Bromo-4,5-diethoxyphenyl)acetic acid is 100388-17-8.
What is the molecular formula of (2-Bromo-4,5-diethoxyphenyl)acetic acid?
The molecular formula of (2-Bromo-4,5-diethoxyphenyl)acetic acid is C12H15BrO4.
What is the molecular weight of (2-Bromo-4,5-diethoxyphenyl)acetic acid?
The molecular weight of (2-Bromo-4,5-diethoxyphenyl)acetic acid is 302.02 g/mol.
Where can I buy (2-Bromo-4,5-diethoxyphenyl)acetic acid?
You can request a quote for (2-Bromo-4,5-diethoxyphenyl)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-Bromo-4,5-diethoxyphenyl)acetic acid?
Yes, KEHONG BIO provides custom synthesis services for (2-Bromo-4,5-diethoxyphenyl)acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.