Dimethyl muconate, (E,E)-
TL;DR: Dimethyl muconate, (E,E)- (CAS 692-92-2) 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.
dimethyl (2E,4E)-hexa-2,4-dienedioate
Also Known As: Dimethyl trans,trans-muconate, Dimethyl muconate, (E,E)-, Dimethyl cis,trans-muconate, dimethyl trans-muconate, Dimethyl (E,E)-muconate
| Molecular Formula | C8H10O4 |
|---|---|
| Molecular Weight | 170.06 g/mol |
| LogP | 0.4448 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 170.0579 |
| Heavy Atoms | 12 |
| Complexity | 191.09775 |
Chemical Identifiers
| CAS Number | 692-92-2 |
|---|---|
| SMILES | COC(=O)/C=C/C=C/C(=O)OC |
Product Overview
Dimethyl muconate, (E,E)- (CAS 692-92-2), with molecular formula C8H10O4 and molecular weight 170.06 g/mol. IUPAC: dimethyl (2E,4E)-hexa-2,4-dienedioate.
Chemical Property Profile of Dimethyl muconate, (E,E)-
Property Insights of Dimethyl muconate, (E,E)-
The XLogP value of 0.4448 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dimethyl muconate, (E,E)-. With a topological polar surface area (TPSA) of 52.6 Ų, Dimethyl muconate, (E,E)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Dimethyl muconate, (E,E)- has 0 hydrogen bond donor(s) and 4 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 Dimethyl muconate, (E,E)-?
The CAS number of Dimethyl muconate, (E,E)- is 692-92-2.
What is the molecular formula of Dimethyl muconate, (E,E)-?
The molecular formula of Dimethyl muconate, (E,E)- is C8H10O4.
What is the molecular weight of Dimethyl muconate, (E,E)-?
The molecular weight of Dimethyl muconate, (E,E)- is 170.06 g/mol.
Where can I buy Dimethyl muconate, (E,E)-?
You can request a quote for Dimethyl muconate, (E,E)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dimethyl muconate, (E,E)-?
Yes, KEHONG BIO provides custom synthesis services for Dimethyl muconate, (E,E)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.