Dimethyl hexa-2,4-dienedioate
TL;DR: Dimethyl hexa-2,4-dienedioate (CAS 1733-37-5) 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 hexa-2,4-dienedioate
Also Known As: Dimethyl cis,trans-muconate, cis,cis-Dimethyl muconate, Dimethyl (E,E)-muconate, dimethyl hexa-2,4-dienedioate, NCIOpen2_001759
| Molecular Formula | C8H10O4 |
|---|---|
| Molecular Weight | 170.06 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 170.0579 |
| Heavy Atoms | 12 |
| Complexity | 191.0 |
Chemical Identifiers
| CAS Number | 1733-37-5 |
|---|---|
| SMILES | COC(=O)C=CC=CC(=O)OC |
| InChIKey | PXYBXMZVYNWQAM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Dimethyl hexa-2,4-dienedioate (CAS 1733-37-5), with molecular formula C8H10O4 and molecular weight 170.06 g/mol. IUPAC: dimethyl hexa-2,4-dienedioate.
Chemical Property Profile of Dimethyl hexa-2,4-dienedioate
Property Insights of Dimethyl hexa-2,4-dienedioate
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dimethyl hexa-2,4-dienedioate. With a topological polar surface area (TPSA) of 52.6 Ų, Dimethyl hexa-2,4-dienedioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Dimethyl hexa-2,4-dienedioate 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 hexa-2,4-dienedioate?
The CAS number of Dimethyl hexa-2,4-dienedioate is 1733-37-5.
What is the molecular formula of Dimethyl hexa-2,4-dienedioate?
The molecular formula of Dimethyl hexa-2,4-dienedioate is C8H10O4.
What is the molecular weight of Dimethyl hexa-2,4-dienedioate?
The molecular weight of Dimethyl hexa-2,4-dienedioate is 170.06 g/mol.
Where can I buy Dimethyl hexa-2,4-dienedioate?
You can request a quote for Dimethyl hexa-2,4-dienedioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dimethyl hexa-2,4-dienedioate?
Yes, KEHONG BIO provides custom synthesis services for Dimethyl hexa-2,4-dienedioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.