3-Methoxy-5-methyl-4-oxohexa-2,5-dienoic acid
TL;DR: 3-Methoxy-5-methyl-4-oxohexa-2,5-dienoic acid (CAS 90-65-3) is a chemical compound with molecular formula C8H10O4 and molecular weight 170.0579 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-methoxy-5-methyl-4-oxohexa-2,5-dienoic acid
Also Known As: penicillic acid, Pencillic acid, Kyselina penicilova, Kyselina penicilova [Czech], 2,5-Hexadienoic acid, 3-methoxy-5-methyl-4-oxo-
Application Areas
Top 5 of 10 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C8H10O4 |
| Molecular Weight | 170.0579 g/mol |
| XLogP | 0.9 |
| Topological Polar Surface Area (TPSA) | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 170.0579 Da |
| Heavy Atoms | 12 |
| Complexity | 250.0 |
| SMILES | CC(=C)C(=O)C(=CC(=O)O)OC |
| InChIKey | VOUGEZYPVGAPBB-UHFFFAOYSA-N |
Product Description
Applications: 3-Methoxy-5-methyl-4-oxohexa-2,5-dienoic acid is used in biotechnology workflows and life-science research, as well as heterocycle construction in medicinal chemistry and agrochemical discovery. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).
A biotechnology compound supplied by CoreyChem, 3-Methoxy-5-methyl-4-oxohexa-2,5-dienoic acid (CAS 90-65-3) has the molecular formula C8H10O4 and a molecular weight of 170.06 g/mol. Synonyms include penicillic acid and Pencillic acid.
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of 3-Methoxy-5-methyl-4-oxohexa-2,5-dienoic acid
Property Insights of 3-Methoxy-5-methyl-4-oxohexa-2,5-dienoic acid
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Methoxy-5-methyl-4-oxohexa-2,5-dienoic acid. The TPSA of 63.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Methoxy-5-methyl-4-oxohexa-2,5-dienoic acid. Following Lipinski's Rule of Five, 3-Methoxy-5-methyl-4-oxohexa-2,5-dienoic acid has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 3-Methoxy-5-methyl-4-oxohexa-2,5-dienoic acid?
The CAS number of 3-Methoxy-5-methyl-4-oxohexa-2,5-dienoic acid is 90-65-3.
What is the molecular formula of 3-Methoxy-5-methyl-4-oxohexa-2,5-dienoic acid?
The molecular formula of 3-Methoxy-5-methyl-4-oxohexa-2,5-dienoic acid is C8H10O4.
What is the molecular weight of 3-Methoxy-5-methyl-4-oxohexa-2,5-dienoic acid?
The molecular weight of 3-Methoxy-5-methyl-4-oxohexa-2,5-dienoic acid is 170.0579 g/mol.
What are the applications of 3-Methoxy-5-methyl-4-oxohexa-2,5-dienoic acid?
3-Methoxy-5-methyl-4-oxohexa-2,5-dienoic acid is used in biotechnology workflows and life-science research, as well as heterocycle construction in medicinal chemistry and agrochemical discovery. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as...
Where can I buy 3-Methoxy-5-methyl-4-oxohexa-2,5-dienoic acid?
You can request a quote for 3-Methoxy-5-methyl-4-oxohexa-2,5-dienoic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-Methoxy-5-methyl-4-oxohexa-2,5-dienoic acid?
Yes, CoreyChem provides custom synthesis services for 3-Methoxy-5-methyl-4-oxohexa-2,5-dienoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.