2-Hexylbenzene-1,4-diyl dibenzoate
TL;DR: 2-Hexylbenzene-1,4-diyl dibenzoate (CAS 42389-04-8) is a chemical compound with molecular formula C26H26O4 and molecular weight 402.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-benzoyloxy-3-hexylphenyl) benzoate
Also Known As: 2-hexylbenzene-1,4-diyl dibenzoate, (4-benzoyloxy-3-hexylphenyl) benzoate, 2-Hexyl-1,4-phenylene dibenzoate, 1,4-Benzenediol,2-hexyl-, 1,4-dibenzoate
| Molecular Formula | C26H26O4 |
|---|---|
| Molecular Weight | 402.18 g/mol |
| LogP | 7.7 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 11 |
| Exact Mass | 402.1831 |
| Heavy Atoms | 30 |
| Complexity | 519.0 |
Chemical Identifiers
| CAS Number | 42389-04-8 |
|---|---|
| SMILES | CCCCCCC1=C(C=CC(=C1)OC(=O)C2=CC=CC=C2)OC(=O)C3=CC=CC=C3 |
| InChIKey | QFBUFVQEYCRCEQ-UHFFFAOYSA-N |
Product Overview
2-Hexylbenzene-1,4-diyl dibenzoate (CAS 42389-04-8), with molecular formula C26H26O4 and molecular weight 402.18 g/mol. IUPAC: (4-benzoyloxy-3-hexylphenyl) benzoate.
Chemical Property Profile of 2-Hexylbenzene-1,4-diyl dibenzoate
Property Insights of 2-Hexylbenzene-1,4-diyl dibenzoate
The XLogP value of 7.7 indicates that 2-Hexylbenzene-1,4-diyl dibenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, 2-Hexylbenzene-1,4-diyl dibenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Hexylbenzene-1,4-diyl dibenzoate 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 2-Hexylbenzene-1,4-diyl dibenzoate?
The CAS number of 2-Hexylbenzene-1,4-diyl dibenzoate is 42389-04-8.
What is the molecular formula of 2-Hexylbenzene-1,4-diyl dibenzoate?
The molecular formula of 2-Hexylbenzene-1,4-diyl dibenzoate is C26H26O4.
What is the molecular weight of 2-Hexylbenzene-1,4-diyl dibenzoate?
The molecular weight of 2-Hexylbenzene-1,4-diyl dibenzoate is 402.18 g/mol.
Where can I buy 2-Hexylbenzene-1,4-diyl dibenzoate?
You can request a quote for 2-Hexylbenzene-1,4-diyl dibenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Hexylbenzene-1,4-diyl dibenzoate?
Yes, KEHONG BIO provides custom synthesis services for 2-Hexylbenzene-1,4-diyl dibenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.