Dimethyl Octa-2,4,6-trienedioate
TL;DR: Dimethyl Octa-2,4,6-trienedioate (CAS 13160-88-8) is a chemical compound with molecular formula C10H12O4 and molecular weight 196.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl octa-2,4,6-trienedioate
Also Known As: Dimethyl Octa-2,4,6-trienedioate, all-trans-Hexatrionsaeure-dimethylester, 2,4,6-Octatrienedioic acid, dimethyl ester, (E,E,E)-
| Molecular Formula | C10H12O4 |
|---|---|
| Molecular Weight | 196.07 g/mol |
| LogP | 1.001 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 196.07356 |
| Heavy Atoms | 14 |
| Complexity | 245.84659 |
Chemical Identifiers
| CAS Number | 13160-88-8 |
|---|---|
| SMILES | COC(=O)C=CC=CC=CC(=O)OC |
Product Overview
Dimethyl Octa-2,4,6-trienedioate (CAS 13160-88-8), with molecular formula C10H12O4 and molecular weight 196.07 g/mol. IUPAC: dimethyl octa-2,4,6-trienedioate.
Chemical Property Profile of Dimethyl Octa-2,4,6-trienedioate
Property Insights of Dimethyl Octa-2,4,6-trienedioate
The XLogP value of 1.001 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dimethyl Octa-2,4,6-trienedioate. With a topological polar surface area (TPSA) of 52.6 Ų, Dimethyl Octa-2,4,6-trienedioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Dimethyl Octa-2,4,6-trienedioate 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 Octa-2,4,6-trienedioate?
The CAS number of Dimethyl Octa-2,4,6-trienedioate is 13160-88-8.
What is the molecular formula of Dimethyl Octa-2,4,6-trienedioate?
The molecular formula of Dimethyl Octa-2,4,6-trienedioate is C10H12O4.
What is the molecular weight of Dimethyl Octa-2,4,6-trienedioate?
The molecular weight of Dimethyl Octa-2,4,6-trienedioate is 196.07 g/mol.
Where can I buy Dimethyl Octa-2,4,6-trienedioate?
You can request a quote for Dimethyl Octa-2,4,6-trienedioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dimethyl Octa-2,4,6-trienedioate?
Yes, KEHONG BIO provides custom synthesis services for Dimethyl Octa-2,4,6-trienedioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.