1,1'-(1,3-Butadiene-1,4-diyl)bis(3,4,5-trimethoxybenzene)
TL;DR: 1,1'-(1,3-Butadiene-1,4-diyl)bis(3,4,5-trimethoxybenzene) (CAS 123220-48-4) is a chemical compound with molecular formula C22H26O6 and molecular weight 386.17294 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1,2,3-trimethoxy-5-[(1E,3E)-4-(3,4,5-trimethoxyphenyl)buta-1,3-dienyl]benzene
Also Known As: JS 3, 1,1'-(1,3-Butadiene-1,4-diyl)bis(3,4,5-trimethoxybenzene), 1,2,3-trimethoxy-5-[(1E,3E)-4-(3,4,5-trimethoxyphenyl)buta-1,3-dienyl]benzene, Benzene, 1,1'-(1,3-butadiene-1,4-diyl)bis(3,4,5-trimethoxy-, (E,E)-, 1,2,3-trimethoxy-5-((1E,3E)-4-(3,4,5-trimethoxyphenyl)buta-1,3-dienyl)benzene
Technical Specifications
| Molecular Formula | C22H26O6 |
| Molecular Weight | 386.17294 g/mol |
| XLogP | 4.7 |
| Topological Polar Surface Area (TPSA) | 55.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 386.17294 Da |
| Heavy Atoms | 28 |
| Complexity | 421.0 |
| SMILES | COC1=CC(=CC(=C1OC)OC)/C=C/C=C/C2=CC(=C(C(=C2)OC)OC)OC |
| InChIKey | KGNOEHBPKUADMW-FIFLTTCUSA-N |
Chemical Property Profile of 1,1'-(1,3-Butadiene-1,4-diyl)bis(3,4,5-trimethoxybenzene)
Property Insights of 1,1'-(1,3-Butadiene-1,4-diyl)bis(3,4,5-trimethoxybenzene)
The XLogP value of 4.7 indicates that 1,1'-(1,3-Butadiene-1,4-diyl)bis(3,4,5-trimethoxybenzene) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.4 Ų, 1,1'-(1,3-Butadiene-1,4-diyl)bis(3,4,5-trimethoxybenzene) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,1'-(1,3-Butadiene-1,4-diyl)bis(3,4,5-trimethoxybenzene) has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 1,1'-(1,3-Butadiene-1,4-diyl)bis(3,4,5-trimethoxybenzene)?
The CAS number of 1,1'-(1,3-Butadiene-1,4-diyl)bis(3,4,5-trimethoxybenzene) is 123220-48-4.
What is the molecular formula of 1,1'-(1,3-Butadiene-1,4-diyl)bis(3,4,5-trimethoxybenzene)?
The molecular formula of 1,1'-(1,3-Butadiene-1,4-diyl)bis(3,4,5-trimethoxybenzene) is C22H26O6.
What is the molecular weight of 1,1'-(1,3-Butadiene-1,4-diyl)bis(3,4,5-trimethoxybenzene)?
The molecular weight of 1,1'-(1,3-Butadiene-1,4-diyl)bis(3,4,5-trimethoxybenzene) is 386.17294 g/mol.
Where can I buy 1,1'-(1,3-Butadiene-1,4-diyl)bis(3,4,5-trimethoxybenzene)?
You can request a quote for 1,1'-(1,3-Butadiene-1,4-diyl)bis(3,4,5-trimethoxybenzene) directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1,1'-(1,3-Butadiene-1,4-diyl)bis(3,4,5-trimethoxybenzene)?
Yes, CoreyChem provides custom synthesis services for 1,1'-(1,3-Butadiene-1,4-diyl)bis(3,4,5-trimethoxybenzene) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.