3,5-Hexadienoic acid, 2-oxo-6-phenyl-
TL;DR: 3,5-Hexadienoic acid, 2-oxo-6-phenyl- (CAS 4403-24-1) is a chemical compound with molecular formula C12H10O3 and molecular weight 202.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-oxo-6-phenylhexa-3,5-dienoic acid
Also Known As: 2-oxo-6-phenylhexa-3,5-dienoic acid, 3,5-Hexadienoic acid, 2-oxo-6-phenyl-, (3E,5E)-2-oxo-6-phenylhexa-3,5-dienoic acid
| Molecular Formula | C12H10O3 |
|---|---|
| Molecular Weight | 202.06 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 54.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 202.06299 |
| Heavy Atoms | 15 |
| Complexity | 283.0 |
Chemical Identifiers
| CAS Number | 4403-24-1 |
|---|---|
| SMILES | C1=CC=C(C=C1)C=CC=CC(=O)C(=O)O |
| InChIKey | HXBHTZSDWPPLKO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3,5-Hexadienoic acid, 2-oxo-6-phenyl- (CAS 4403-24-1), with molecular formula C12H10O3 and molecular weight 202.06 g/mol. IUPAC: 2-oxo-6-phenylhexa-3,5-dienoic acid.
Chemical Property Profile of 3,5-Hexadienoic acid, 2-oxo-6-phenyl-
Property Insights of 3,5-Hexadienoic acid, 2-oxo-6-phenyl-
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,5-Hexadienoic acid, 2-oxo-6-phenyl-. With a topological polar surface area (TPSA) of 54.4 Ų, 3,5-Hexadienoic acid, 2-oxo-6-phenyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,5-Hexadienoic acid, 2-oxo-6-phenyl- 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 3,5-Hexadienoic acid, 2-oxo-6-phenyl-?
The CAS number of 3,5-Hexadienoic acid, 2-oxo-6-phenyl- is 4403-24-1.
What is the molecular formula of 3,5-Hexadienoic acid, 2-oxo-6-phenyl-?
The molecular formula of 3,5-Hexadienoic acid, 2-oxo-6-phenyl- is C12H10O3.
What is the molecular weight of 3,5-Hexadienoic acid, 2-oxo-6-phenyl-?
The molecular weight of 3,5-Hexadienoic acid, 2-oxo-6-phenyl- is 202.06 g/mol.
Where can I buy 3,5-Hexadienoic acid, 2-oxo-6-phenyl-?
You can request a quote for 3,5-Hexadienoic acid, 2-oxo-6-phenyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,5-Hexadienoic acid, 2-oxo-6-phenyl-?
Yes, KEHONG BIO provides custom synthesis services for 3,5-Hexadienoic acid, 2-oxo-6-phenyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.