(2E,4E)-6-methoxy-6-oxohexa-2,4-dienoic acid
TL;DR: (2E,4E)-6-methoxy-6-oxohexa-2,4-dienoic acid (CAS 10085-20-8) is a chemical compound with molecular formula C7H8O4 and molecular weight 156.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2E,4E)-6-methoxy-6-oxohexa-2,4-dienoic acid
Also Known As: muconic acid monomethyl ester, (E,E)-muconic acid monomethyl ester, (2E,4E)-6-methoxy-6-oxohexa-2,4-dienoic acid, 2,4-Hexadienedioic acid 1-methyl ester, 6-methoxy-6-oxohexa-2,4-dienoic acid
| Molecular Formula | C7H8O4 |
|---|---|
| Molecular Weight | 156.04 g/mol |
| LogP | 0.3564 |
| Topological Polar Surface Area | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 156.04225 |
| Heavy Atoms | 11 |
| Complexity | 202.48611 |
Chemical Identifiers
| CAS Number | 10085-20-8 |
|---|---|
| SMILES | COC(=O)/C=C/C=C/C(=O)O |
Product Overview
(2E,4E)-6-methoxy-6-oxohexa-2,4-dienoic acid (CAS 10085-20-8), with molecular formula C7H8O4 and molecular weight 156.04 g/mol. IUPAC: (2E,4E)-6-methoxy-6-oxohexa-2,4-dienoic acid.
Chemical Property Profile of (2E,4E)-6-methoxy-6-oxohexa-2,4-dienoic acid
Property Insights of (2E,4E)-6-methoxy-6-oxohexa-2,4-dienoic acid
The XLogP value of 0.3564 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2E,4E)-6-methoxy-6-oxohexa-2,4-dienoic acid. The TPSA of 63.6 Ų falls within the moderate polarity range, balancing permeability and solubility for (2E,4E)-6-methoxy-6-oxohexa-2,4-dienoic acid. Following Lipinski's Rule of Five, (2E,4E)-6-methoxy-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 (2E,4E)-6-methoxy-6-oxohexa-2,4-dienoic acid?
The CAS number of (2E,4E)-6-methoxy-6-oxohexa-2,4-dienoic acid is 10085-20-8.
What is the molecular formula of (2E,4E)-6-methoxy-6-oxohexa-2,4-dienoic acid?
The molecular formula of (2E,4E)-6-methoxy-6-oxohexa-2,4-dienoic acid is C7H8O4.
What is the molecular weight of (2E,4E)-6-methoxy-6-oxohexa-2,4-dienoic acid?
The molecular weight of (2E,4E)-6-methoxy-6-oxohexa-2,4-dienoic acid is 156.04 g/mol.
Where can I buy (2E,4E)-6-methoxy-6-oxohexa-2,4-dienoic acid?
You can request a quote for (2E,4E)-6-methoxy-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 (2E,4E)-6-methoxy-6-oxohexa-2,4-dienoic acid?
Yes, KEHONG BIO provides custom synthesis services for (2E,4E)-6-methoxy-6-oxohexa-2,4-dienoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.