Bis(2,5-dimethylheptyl) phthalate
TL;DR: Bis(2,5-dimethylheptyl) phthalate (CAS 85391-48-6) is a chemical compound with molecular formula C26H42O4 and molecular weight 418.31 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis(2,5-dimethylheptyl) benzene-1,2-dicarboxylate
Also Known As: Bis(2,5-dimethylheptyl) phthalate, EINECS 286-802-3, bis(2,5-dimethylheptyl) benzene-1,2-dicarboxylate, bis(2,5-dimethylheptyl)benzene-1,2-dicarboxylate, 1,2-Bis(2,5-dimethylheptyl) 1,2-benzenedicarboxylate
| Molecular Formula | C26H42O4 |
|---|---|
| Molecular Weight | 418.31 g/mol |
| LogP | 6.925 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 14 |
| Exact Mass | 418.30832 |
| Heavy Atoms | 30 |
| Complexity | 584.6757 |
Chemical Identifiers
| CAS Number | 85391-48-6 |
|---|---|
| SMILES | CCC(C)CCC(C)COC(=O)C1=CC=CC=C1C(=O)OCC(C)CCC(C)CC |
Product Overview
Bis(2,5-dimethylheptyl) phthalate (CAS 85391-48-6), with molecular formula C26H42O4 and molecular weight 418.31 g/mol. IUPAC: bis(2,5-dimethylheptyl) benzene-1,2-dicarboxylate.
Chemical Property Profile of Bis(2,5-dimethylheptyl) phthalate
Property Insights of Bis(2,5-dimethylheptyl) phthalate
The XLogP value of 6.925 indicates that Bis(2,5-dimethylheptyl) phthalate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, Bis(2,5-dimethylheptyl) phthalate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Bis(2,5-dimethylheptyl) phthalate has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Bis(2,5-dimethylheptyl) phthalate?
The CAS number of Bis(2,5-dimethylheptyl) phthalate is 85391-48-6.
What is the molecular formula of Bis(2,5-dimethylheptyl) phthalate?
The molecular formula of Bis(2,5-dimethylheptyl) phthalate is C26H42O4.
What is the molecular weight of Bis(2,5-dimethylheptyl) phthalate?
The molecular weight of Bis(2,5-dimethylheptyl) phthalate is 418.31 g/mol.
Where can I buy Bis(2,5-dimethylheptyl) phthalate?
You can request a quote for Bis(2,5-dimethylheptyl) phthalate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bis(2,5-dimethylheptyl) phthalate?
Yes, KEHONG BIO provides custom synthesis services for Bis(2,5-dimethylheptyl) phthalate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.