3-(5-Bromo-3-chloro-2-methoxyphenyl)prop-2-enoic acid
TL;DR: 3-(5-Bromo-3-chloro-2-methoxyphenyl)prop-2-enoic acid (CAS 518023-87-5) is a chemical compound with molecular formula C10H8BrClO3 and molecular weight 289.93 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(5-bromo-3-chloro-2-methoxyphenyl)prop-2-enoic acid
Also Known As: 3-(5-bromo-3-chloro-2-methoxyphenyl)prop-2-enoic acid, (2E)-3-(5-BROMO-3-CHLORO-2-METHOXYPHENYL)ACRYLIC ACID, 3-(5-bromo-3-chloro-2-methoxy-phenyl)prop-2-enoic Acid, (E)-3-(5-Bromo-3-chloro-2-methoxyphenyl)acrylic acid, (2E)-3-(5-bromo-3-chloro-2-methoxyphenyl)prop-2-enoic acid
| Molecular Formula | C10H8BrClO3 |
|---|---|
| Molecular Weight | 289.93 g/mol |
| LogP | 3.2089 |
| Topological Polar Surface Area | 46.53 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 289.93454 |
| Heavy Atoms | 15 |
| Complexity | 415.3737 |
Chemical Identifiers
| CAS Number | 518023-87-5 |
|---|---|
| SMILES | COC1=C(C=C(C=C1Cl)Br)C=CC(=O)O |
Product Overview
3-(5-Bromo-3-chloro-2-methoxyphenyl)prop-2-enoic acid (CAS 518023-87-5), with molecular formula C10H8BrClO3 and molecular weight 289.93 g/mol. IUPAC: 3-(5-bromo-3-chloro-2-methoxyphenyl)prop-2-enoic acid.
Chemical Property Profile of 3-(5-Bromo-3-chloro-2-methoxyphenyl)prop-2-enoic acid
Property Insights of 3-(5-Bromo-3-chloro-2-methoxyphenyl)prop-2-enoic acid
The XLogP value of 3.2089 indicates that 3-(5-Bromo-3-chloro-2-methoxyphenyl)prop-2-enoic 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, 3-(5-Bromo-3-chloro-2-methoxyphenyl)prop-2-enoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(5-Bromo-3-chloro-2-methoxyphenyl)prop-2-enoic 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 3-(5-Bromo-3-chloro-2-methoxyphenyl)prop-2-enoic acid?
The CAS number of 3-(5-Bromo-3-chloro-2-methoxyphenyl)prop-2-enoic acid is 518023-87-5.
What is the molecular formula of 3-(5-Bromo-3-chloro-2-methoxyphenyl)prop-2-enoic acid?
The molecular formula of 3-(5-Bromo-3-chloro-2-methoxyphenyl)prop-2-enoic acid is C10H8BrClO3.
What is the molecular weight of 3-(5-Bromo-3-chloro-2-methoxyphenyl)prop-2-enoic acid?
The molecular weight of 3-(5-Bromo-3-chloro-2-methoxyphenyl)prop-2-enoic acid is 289.93 g/mol.
Where can I buy 3-(5-Bromo-3-chloro-2-methoxyphenyl)prop-2-enoic acid?
You can request a quote for 3-(5-Bromo-3-chloro-2-methoxyphenyl)prop-2-enoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(5-Bromo-3-chloro-2-methoxyphenyl)prop-2-enoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(5-Bromo-3-chloro-2-methoxyphenyl)prop-2-enoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.