![3,5-Heptanedione, 4-[6-(4-hydroxyphenyl)hexyl]- structure](/static/products/5212/52122-46-0.webp)
3,5-Heptanedione, 4-[6-(4-hydroxyphenyl)hexyl]-
TL;DR: 3,5-Heptanedione, 4-[6-(4-hydroxyphenyl)hexyl]- (CAS 52122-46-0) is a chemical compound with molecular formula C19H28O3 and molecular weight 304.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[6-(4-hydroxyphenyl)hexyl]heptane-3,5-dione
Also Known As: 4-[6-(4-hydroxyphenyl)hexyl]heptane-3,5-dione, 3,5-Heptanedione, 4-[6-(4-hydroxyphenyl)hexyl]-, 4-[6-(4-hydroxyphenyl)hexyl]3,5-heptanedione, 3,5-Heptanedione,4-[6-(4-hydroxyphenyl)hexyl], 4-[6-(4-hydroxyphenyl)hexyl]-3,5-heptanedione
| Molecular Formula | C19H28O3 |
|---|---|
| Molecular Weight | 304.20 g/mol |
| LogP | 4.9 |
| Topological Polar Surface Area | 54.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 11 |
| Exact Mass | 304.20386 |
| Heavy Atoms | 22 |
| Complexity | 314.0 |
Chemical Identifiers
| CAS Number | 52122-46-0 |
|---|---|
| SMILES | CCC(=O)C(CCCCCCC1=CC=C(C=C1)O)C(=O)CC |
| InChIKey | CMJZKJQOZBQJCT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3,5-Heptanedione, 4-[6-(4-hydroxyphenyl)hexyl]- (CAS 52122-46-0), with molecular formula C19H28O3 and molecular weight 304.20 g/mol. IUPAC: 4-[6-(4-hydroxyphenyl)hexyl]heptane-3,5-dione.
Chemical Property Profile of 3,5-Heptanedione, 4-[6-(4-hydroxyphenyl)hexyl]-
Property Insights of 3,5-Heptanedione, 4-[6-(4-hydroxyphenyl)hexyl]-
The XLogP value of 4.9 indicates that 3,5-Heptanedione, 4-[6-(4-hydroxyphenyl)hexyl]- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.4 Ų, 3,5-Heptanedione, 4-[6-(4-hydroxyphenyl)hexyl]- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,5-Heptanedione, 4-[6-(4-hydroxyphenyl)hexyl]- has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3,5-Heptanedione, 4-[6-(4-hydroxyphenyl)hexyl]-?
The CAS number of 3,5-Heptanedione, 4-[6-(4-hydroxyphenyl)hexyl]- is 52122-46-0.
What is the molecular formula of 3,5-Heptanedione, 4-[6-(4-hydroxyphenyl)hexyl]-?
The molecular formula of 3,5-Heptanedione, 4-[6-(4-hydroxyphenyl)hexyl]- is C19H28O3.
What is the molecular weight of 3,5-Heptanedione, 4-[6-(4-hydroxyphenyl)hexyl]-?
The molecular weight of 3,5-Heptanedione, 4-[6-(4-hydroxyphenyl)hexyl]- is 304.20 g/mol.
Where can I buy 3,5-Heptanedione, 4-[6-(4-hydroxyphenyl)hexyl]-?
You can request a quote for 3,5-Heptanedione, 4-[6-(4-hydroxyphenyl)hexyl]- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,5-Heptanedione, 4-[6-(4-hydroxyphenyl)hexyl]-?
Yes, KEHONG BIO provides custom synthesis services for 3,5-Heptanedione, 4-[6-(4-hydroxyphenyl)hexyl]- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.