Bis(3-methylhexyl) benzene-1,2-dicarboxylate
TL;DR: Bis(3-methylhexyl) benzene-1,2-dicarboxylate (CAS 53306-53-9) is a chemical compound with molecular formula C22H34O4 and molecular weight 362.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis(3-methylhexyl) benzene-1,2-dicarboxylate
Also Known As: Di(3-methylhexyl)phthalate, DI PHTHALATE, Phthalic acid, bis(3-methylhexyl) ester, bis(3-methylhexyl) benzene-1,2-dicarboxylate, Phthalic acid di(3-methylhexyl) ester
| Molecular Formula | C22H34O4 |
|---|---|
| Molecular Weight | 362.25 g/mol |
| LogP | 7.8 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 14 |
| Exact Mass | 362.2457 |
| Heavy Atoms | 26 |
| Complexity | 369.0 |
Chemical Identifiers
| CAS Number | 53306-53-9 |
|---|---|
| SMILES | CCCC(C)CCOC(=O)C1=CC=CC=C1C(=O)OCCC(C)CCC |
| InChIKey | PLVCZTJOXIYQSA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Bis(3-methylhexyl) benzene-1,2-dicarboxylate (CAS 53306-53-9), with molecular formula C22H34O4 and molecular weight 362.25 g/mol. IUPAC: bis(3-methylhexyl) benzene-1,2-dicarboxylate.
Chemical Property Profile of Bis(3-methylhexyl) benzene-1,2-dicarboxylate
Property Insights of Bis(3-methylhexyl) benzene-1,2-dicarboxylate
The XLogP value of 7.8 indicates that Bis(3-methylhexyl) benzene-1,2-dicarboxylate 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(3-methylhexyl) benzene-1,2-dicarboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Bis(3-methylhexyl) benzene-1,2-dicarboxylate 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(3-methylhexyl) benzene-1,2-dicarboxylate?
The CAS number of Bis(3-methylhexyl) benzene-1,2-dicarboxylate is 53306-53-9.
What is the molecular formula of Bis(3-methylhexyl) benzene-1,2-dicarboxylate?
The molecular formula of Bis(3-methylhexyl) benzene-1,2-dicarboxylate is C22H34O4.
What is the molecular weight of Bis(3-methylhexyl) benzene-1,2-dicarboxylate?
The molecular weight of Bis(3-methylhexyl) benzene-1,2-dicarboxylate is 362.25 g/mol.
Where can I buy Bis(3-methylhexyl) benzene-1,2-dicarboxylate?
You can request a quote for Bis(3-methylhexyl) benzene-1,2-dicarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bis(3-methylhexyl) benzene-1,2-dicarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Bis(3-methylhexyl) benzene-1,2-dicarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.