Bis(3-methoxybutyl) benzene-1,2-dicarboxylate
TL;DR: Bis(3-methoxybutyl) benzene-1,2-dicarboxylate (CAS 103427-72-1) is a chemical compound with molecular formula C18H26O6 and molecular weight 338.17294 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
bis(3-methoxybutyl) benzene-1,2-dicarboxylate
Also Known As: bis(3-methoxybutyl) benzene-1,2-dicarboxylate, 1,2-Benzenedicarboxylicacid, 1,2-bis(3-methoxybutyl) ester
Technical Specifications
| Molecular Formula | C18H26O6 |
| Molecular Weight | 338.17294 g/mol |
| XLogP | 3.5 |
| Topological Polar Surface Area (TPSA) | 71.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 12 |
| Exact Mass | 338.17294 Da |
| Heavy Atoms | 24 |
| Complexity | 348.0 |
| SMILES | CC(CCOC(=O)C1=CC=CC=C1C(=O)OCCC(C)OC)OC |
| InChIKey | LXIBLTWJSFQGJK-UHFFFAOYSA-N |
Chemical Property Profile of Bis(3-methoxybutyl) benzene-1,2-dicarboxylate
Property Insights of Bis(3-methoxybutyl) benzene-1,2-dicarboxylate
The XLogP value of 3.5 indicates that Bis(3-methoxybutyl) benzene-1,2-dicarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Bis(3-methoxybutyl) benzene-1,2-dicarboxylate. Following Lipinski's Rule of Five, Bis(3-methoxybutyl) benzene-1,2-dicarboxylate 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 Bis(3-methoxybutyl) benzene-1,2-dicarboxylate?
The CAS number of Bis(3-methoxybutyl) benzene-1,2-dicarboxylate is 103427-72-1.
What is the molecular formula of Bis(3-methoxybutyl) benzene-1,2-dicarboxylate?
The molecular formula of Bis(3-methoxybutyl) benzene-1,2-dicarboxylate is C18H26O6.
What is the molecular weight of Bis(3-methoxybutyl) benzene-1,2-dicarboxylate?
The molecular weight of Bis(3-methoxybutyl) benzene-1,2-dicarboxylate is 338.17294 g/mol.
Where can I buy Bis(3-methoxybutyl) benzene-1,2-dicarboxylate?
You can request a quote for Bis(3-methoxybutyl) benzene-1,2-dicarboxylate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Bis(3-methoxybutyl) benzene-1,2-dicarboxylate?
Yes, CoreyChem provides custom synthesis services for Bis(3-methoxybutyl) benzene-1,2-dicarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.