Di-(5-hexenyl)phthalate
TL;DR: Di-(5-hexenyl)phthalate (CAS 98374-55-1) is a chemical compound with molecular formula C20H26O4 and molecular weight 330.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis(hex-5-enyl) benzene-1,2-dicarboxylate
Also Known As: Di-(5-hexenyl)phthalate, di-5-HP, bis(hex-5-enyl) benzene-1,2-dicarboxylate, dihex-5-en-1-yl benzene-1,2-dicarboxylate, 1,2-Benzenedicarboxylic acid, di-5-hexenyl ester
| Molecular Formula | C20H26O4 |
|---|---|
| Molecular Weight | 330.18 g/mol |
| LogP | 5.9 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 14 |
| Exact Mass | 330.1831 |
| Heavy Atoms | 24 |
| Complexity | 364.0 |
Chemical Identifiers
| CAS Number | 98374-55-1 |
|---|---|
| SMILES | C=CCCCCOC(=O)C1=CC=CC=C1C(=O)OCCCCC=C |
| InChIKey | KOYDWJZEZNHARE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Di-(5-hexenyl)phthalate (CAS 98374-55-1), with molecular formula C20H26O4 and molecular weight 330.18 g/mol. IUPAC: bis(hex-5-enyl) benzene-1,2-dicarboxylate.
Chemical Property Profile of Di-(5-hexenyl)phthalate
Property Insights of Di-(5-hexenyl)phthalate
The XLogP value of 5.9 indicates that Di-(5-hexenyl)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, Di-(5-hexenyl)phthalate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Di-(5-hexenyl)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 Di-(5-hexenyl)phthalate?
The CAS number of Di-(5-hexenyl)phthalate is 98374-55-1.
What is the molecular formula of Di-(5-hexenyl)phthalate?
The molecular formula of Di-(5-hexenyl)phthalate is C20H26O4.
What is the molecular weight of Di-(5-hexenyl)phthalate?
The molecular weight of Di-(5-hexenyl)phthalate is 330.18 g/mol.
Where can I buy Di-(5-hexenyl)phthalate?
You can request a quote for Di-(5-hexenyl)phthalate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Di-(5-hexenyl)phthalate?
Yes, KEHONG BIO provides custom synthesis services for Di-(5-hexenyl)phthalate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.