1-(3-Methoxy-4-hydroxyphenyl)-7-phenylhept-1-en-3-one
TL;DR: 1-(3-Methoxy-4-hydroxyphenyl)-7-phenylhept-1-en-3-one (CAS 81840-57-5) is a chemical compound with molecular formula C20H22O3 and molecular weight 310.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-hydroxy-3-methoxyphenyl)-7-phenylhept-1-en-3-one
Also Known As: 1-(3-methoxy-4-hydroxyphenyl)-7-phenylhept-1-en-3-one, (1E)-1-(4-Hydroxy-3-methoxyphenyl)-7-phenyl-1-hepten-3-one, (E)-1-(4-hydroxy-3-methoxyphenyl)-7-phenylhept-1-en-3-one
| Molecular Formula | C20H22O3 |
|---|---|
| Molecular Weight | 310.16 g/mol |
| LogP | 4.5 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 8 |
| Exact Mass | 310.1569 |
| Heavy Atoms | 23 |
| Complexity | 371.0 |
Chemical Identifiers
| CAS Number | 81840-57-5 |
|---|---|
| SMILES | COC1=C(C=CC(=C1)C=CC(=O)CCCCC2=CC=CC=C2)O |
| InChIKey | OKVCTOBWIAGOMR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-(3-Methoxy-4-hydroxyphenyl)-7-phenylhept-1-en-3-one (CAS 81840-57-5), with molecular formula C20H22O3 and molecular weight 310.16 g/mol. IUPAC: 1-(4-hydroxy-3-methoxyphenyl)-7-phenylhept-1-en-3-one.
Chemical Property Profile of 1-(3-Methoxy-4-hydroxyphenyl)-7-phenylhept-1-en-3-one
Property Insights of 1-(3-Methoxy-4-hydroxyphenyl)-7-phenylhept-1-en-3-one
The XLogP value of 4.5 indicates that 1-(3-Methoxy-4-hydroxyphenyl)-7-phenylhept-1-en-3-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.5 Ų, 1-(3-Methoxy-4-hydroxyphenyl)-7-phenylhept-1-en-3-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(3-Methoxy-4-hydroxyphenyl)-7-phenylhept-1-en-3-one 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 1-(3-Methoxy-4-hydroxyphenyl)-7-phenylhept-1-en-3-one?
The CAS number of 1-(3-Methoxy-4-hydroxyphenyl)-7-phenylhept-1-en-3-one is 81840-57-5.
What is the molecular formula of 1-(3-Methoxy-4-hydroxyphenyl)-7-phenylhept-1-en-3-one?
The molecular formula of 1-(3-Methoxy-4-hydroxyphenyl)-7-phenylhept-1-en-3-one is C20H22O3.
What is the molecular weight of 1-(3-Methoxy-4-hydroxyphenyl)-7-phenylhept-1-en-3-one?
The molecular weight of 1-(3-Methoxy-4-hydroxyphenyl)-7-phenylhept-1-en-3-one is 310.16 g/mol.
Where can I buy 1-(3-Methoxy-4-hydroxyphenyl)-7-phenylhept-1-en-3-one?
You can request a quote for 1-(3-Methoxy-4-hydroxyphenyl)-7-phenylhept-1-en-3-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(3-Methoxy-4-hydroxyphenyl)-7-phenylhept-1-en-3-one?
Yes, KEHONG BIO provides custom synthesis services for 1-(3-Methoxy-4-hydroxyphenyl)-7-phenylhept-1-en-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.