1-(4-Hydroxy-3-methoxyphenyl)dodec-4-en-3-one
TL;DR: 1-(4-Hydroxy-3-methoxyphenyl)dodec-4-en-3-one (CAS 36700-45-5) 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.
1-(4-hydroxy-3-methoxyphenyl)dodec-4-en-3-one
Also Known As: 8-Shogaol, (8)-Shogaol, [8]-Shogaol, 1-(4-Hydroxy-3-methoxyphenyl)dodec-4-en-3-one, B0005-465778
| Molecular Formula | C19H28O3 |
|---|---|
| Molecular Weight | 304.20 g/mol |
| LogP | 4.8 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 11 |
| Exact Mass | 304.20386 |
| Heavy Atoms | 22 |
| Complexity | 325.0 |
Chemical Identifiers
| CAS Number | 36700-45-5 |
|---|---|
| SMILES | CCCCCCCC=CC(=O)CCC1=CC(=C(C=C1)O)OC |
| InChIKey | LGZSMXJRMTYABD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-(4-Hydroxy-3-methoxyphenyl)dodec-4-en-3-one (CAS 36700-45-5), with molecular formula C19H28O3 and molecular weight 304.20 g/mol. IUPAC: 1-(4-hydroxy-3-methoxyphenyl)dodec-4-en-3-one.
Chemical Property Profile of 1-(4-Hydroxy-3-methoxyphenyl)dodec-4-en-3-one
Property Insights of 1-(4-Hydroxy-3-methoxyphenyl)dodec-4-en-3-one
The XLogP value of 4.8 indicates that 1-(4-Hydroxy-3-methoxyphenyl)dodec-4-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-(4-Hydroxy-3-methoxyphenyl)dodec-4-en-3-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(4-Hydroxy-3-methoxyphenyl)dodec-4-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-(4-Hydroxy-3-methoxyphenyl)dodec-4-en-3-one?
The CAS number of 1-(4-Hydroxy-3-methoxyphenyl)dodec-4-en-3-one is 36700-45-5.
What is the molecular formula of 1-(4-Hydroxy-3-methoxyphenyl)dodec-4-en-3-one?
The molecular formula of 1-(4-Hydroxy-3-methoxyphenyl)dodec-4-en-3-one is C19H28O3.
What is the molecular weight of 1-(4-Hydroxy-3-methoxyphenyl)dodec-4-en-3-one?
The molecular weight of 1-(4-Hydroxy-3-methoxyphenyl)dodec-4-en-3-one is 304.20 g/mol.
Where can I buy 1-(4-Hydroxy-3-methoxyphenyl)dodec-4-en-3-one?
You can request a quote for 1-(4-Hydroxy-3-methoxyphenyl)dodec-4-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-(4-Hydroxy-3-methoxyphenyl)dodec-4-en-3-one?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-Hydroxy-3-methoxyphenyl)dodec-4-en-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.