(2E)-3-(3-bromo-4-hydroxy-5-methoxyphenyl)prop-2-enoic acid
TL;DR: (2E)-3-(3-bromo-4-hydroxy-5-methoxyphenyl)prop-2-enoic acid (CAS 6964-16-5) is a chemical compound with molecular formula C10H9BrO4 and molecular weight 271.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-3-(3-bromo-4-hydroxy-5-methoxyphenyl)prop-2-enoic acid
Also Known As: 5-Bromoferulic acid, 3-(3-bromo-4-hydroxy-5-methoxyphenyl)acrylic acid, 3-Bromoferulic acid, Adenosine triphosphate, 3-BROMO-4-HYDROXY-5-METHOXYCINNAMIC ACID
| Molecular Formula | C10H9BrO4 |
|---|---|
| Molecular Weight | 271.97 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 66.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 271.9684 |
| Heavy Atoms | 15 |
| Complexity | 254.0 |
Chemical Identifiers
| CAS Number | 6964-16-5 |
|---|---|
| SMILES | COC1=C(C(=CC(=C1)/C=C/C(=O)O)Br)O |
| InChIKey | NGBVBJQUJJKRGF-NSCUHMNNSA-N |
Product Overview
(2E)-3-(3-bromo-4-hydroxy-5-methoxyphenyl)prop-2-enoic acid (CAS 6964-16-5), with molecular formula C10H9BrO4 and molecular weight 271.97 g/mol. IUPAC: (E)-3-(3-bromo-4-hydroxy-5-methoxyphenyl)prop-2-enoic acid.
Chemical Property Profile of (2E)-3-(3-bromo-4-hydroxy-5-methoxyphenyl)prop-2-enoic acid
Property Insights of (2E)-3-(3-bromo-4-hydroxy-5-methoxyphenyl)prop-2-enoic acid
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2E)-3-(3-bromo-4-hydroxy-5-methoxyphenyl)prop-2-enoic acid. The TPSA of 66.8 Ų falls within the moderate polarity range, balancing permeability and solubility for (2E)-3-(3-bromo-4-hydroxy-5-methoxyphenyl)prop-2-enoic acid. Following Lipinski's Rule of Five, (2E)-3-(3-bromo-4-hydroxy-5-methoxyphenyl)prop-2-enoic acid has 2 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 (2E)-3-(3-bromo-4-hydroxy-5-methoxyphenyl)prop-2-enoic acid?
The CAS number of (2E)-3-(3-bromo-4-hydroxy-5-methoxyphenyl)prop-2-enoic acid is 6964-16-5.
What is the molecular formula of (2E)-3-(3-bromo-4-hydroxy-5-methoxyphenyl)prop-2-enoic acid?
The molecular formula of (2E)-3-(3-bromo-4-hydroxy-5-methoxyphenyl)prop-2-enoic acid is C10H9BrO4.
What is the molecular weight of (2E)-3-(3-bromo-4-hydroxy-5-methoxyphenyl)prop-2-enoic acid?
The molecular weight of (2E)-3-(3-bromo-4-hydroxy-5-methoxyphenyl)prop-2-enoic acid is 271.97 g/mol.
Where can I buy (2E)-3-(3-bromo-4-hydroxy-5-methoxyphenyl)prop-2-enoic acid?
You can request a quote for (2E)-3-(3-bromo-4-hydroxy-5-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 (2E)-3-(3-bromo-4-hydroxy-5-methoxyphenyl)prop-2-enoic acid?
Yes, KEHONG BIO provides custom synthesis services for (2E)-3-(3-bromo-4-hydroxy-5-methoxyphenyl)prop-2-enoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.