(E)-4-oxo-6-phenyl-5-hexenoic acid
TL;DR: (E)-4-oxo-6-phenyl-5-hexenoic acid (CAS 5636-68-0) is a chemical compound with molecular formula C12H12O3 and molecular weight 204.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-4-oxo-6-phenylhex-5-enoic acid
Also Known As: (E)-4-oxo-6-phenyl-5-hexenoic acid, (5E)-4-oxo-6-phenylhex-5-enoic acid, (E)-4-oxo-6-phenylhex-5-enoic acid, 4-Oxo-6-phenyl-5-hexenoic acid, 4-oxo-6-phenylhex-5-enoic acid
| Molecular Formula | C12H12O3 |
|---|---|
| Molecular Weight | 204.08 g/mol |
| LogP | 2.1337 |
| Topological Polar Surface Area | 54.37 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 204.07864 |
| Heavy Atoms | 15 |
| Complexity | 365.71344 |
Chemical Identifiers
| CAS Number | 5636-68-0 |
|---|---|
| SMILES | C1=CC=C(C=C1)/C=C/C(=O)CCC(=O)O |
Product Overview
(E)-4-oxo-6-phenyl-5-hexenoic acid (CAS 5636-68-0), with molecular formula C12H12O3 and molecular weight 204.08 g/mol. IUPAC: (E)-4-oxo-6-phenylhex-5-enoic acid.
Chemical Property Profile of (E)-4-oxo-6-phenyl-5-hexenoic acid
Property Insights of (E)-4-oxo-6-phenyl-5-hexenoic acid
The XLogP value of 2.1337 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-4-oxo-6-phenyl-5-hexenoic acid. With a topological polar surface area (TPSA) of 54.37 Ų, (E)-4-oxo-6-phenyl-5-hexenoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (E)-4-oxo-6-phenyl-5-hexenoic 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 (E)-4-oxo-6-phenyl-5-hexenoic acid?
The CAS number of (E)-4-oxo-6-phenyl-5-hexenoic acid is 5636-68-0.
What is the molecular formula of (E)-4-oxo-6-phenyl-5-hexenoic acid?
The molecular formula of (E)-4-oxo-6-phenyl-5-hexenoic acid is C12H12O3.
What is the molecular weight of (E)-4-oxo-6-phenyl-5-hexenoic acid?
The molecular weight of (E)-4-oxo-6-phenyl-5-hexenoic acid is 204.08 g/mol.
Where can I buy (E)-4-oxo-6-phenyl-5-hexenoic acid?
You can request a quote for (E)-4-oxo-6-phenyl-5-hexenoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-4-oxo-6-phenyl-5-hexenoic acid?
Yes, KEHONG BIO provides custom synthesis services for (E)-4-oxo-6-phenyl-5-hexenoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.