6-Methoxy-5-methyl-6-oxohexa-2,4-dienoic acid
TL;DR: 6-Methoxy-5-methyl-6-oxohexa-2,4-dienoic acid (CAS 108245-53-0) is a chemical compound with molecular formula C8H10O4 and molecular weight 170.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-methoxy-5-methyl-6-oxohexa-2,4-dienoic acid
Also Known As: 6-methoxy-5-methyl-6-oxohexa-2,4-dienoic acid, 6-methoxy-5-methyl-6-oxo-hexa-2,4-dienoic Acid, (2Z,4Z)-6-methoxy-5-methyl-6-oxo-2,4-hexadienoic acid
| Molecular Formula | C8H10O4 |
|---|---|
| Molecular Weight | 170.06 g/mol |
| LogP | 0.7465 |
| Topological Polar Surface Area | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 170.0579 |
| Heavy Atoms | 12 |
| Complexity | 237.44241 |
Chemical Identifiers
| CAS Number | 108245-53-0 |
|---|---|
| SMILES | CC(=CC=CC(=O)O)C(=O)OC |
Product Overview
6-Methoxy-5-methyl-6-oxohexa-2,4-dienoic acid (CAS 108245-53-0), with molecular formula C8H10O4 and molecular weight 170.06 g/mol. IUPAC: 6-methoxy-5-methyl-6-oxohexa-2,4-dienoic acid.
Chemical Property Profile of 6-Methoxy-5-methyl-6-oxohexa-2,4-dienoic acid
Property Insights of 6-Methoxy-5-methyl-6-oxohexa-2,4-dienoic acid
The XLogP value of 0.7465 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-Methoxy-5-methyl-6-oxohexa-2,4-dienoic acid. The TPSA of 63.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-Methoxy-5-methyl-6-oxohexa-2,4-dienoic acid. Following Lipinski's Rule of Five, 6-Methoxy-5-methyl-6-oxohexa-2,4-dienoic 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 6-Methoxy-5-methyl-6-oxohexa-2,4-dienoic acid?
The CAS number of 6-Methoxy-5-methyl-6-oxohexa-2,4-dienoic acid is 108245-53-0.
What is the molecular formula of 6-Methoxy-5-methyl-6-oxohexa-2,4-dienoic acid?
The molecular formula of 6-Methoxy-5-methyl-6-oxohexa-2,4-dienoic acid is C8H10O4.
What is the molecular weight of 6-Methoxy-5-methyl-6-oxohexa-2,4-dienoic acid?
The molecular weight of 6-Methoxy-5-methyl-6-oxohexa-2,4-dienoic acid is 170.06 g/mol.
Where can I buy 6-Methoxy-5-methyl-6-oxohexa-2,4-dienoic acid?
You can request a quote for 6-Methoxy-5-methyl-6-oxohexa-2,4-dienoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-Methoxy-5-methyl-6-oxohexa-2,4-dienoic acid?
Yes, KEHONG BIO provides custom synthesis services for 6-Methoxy-5-methyl-6-oxohexa-2,4-dienoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.