莪术酮
TL;DR: 莪术酮 (CAS 78964-39-3) is a chemical compound with molecular formula C15H18O2 and molecular weight 230.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
莪术酮
(5R,6R)-6-ethenyl-3,6-dimethyl-5-prop-1-en-2-yl-5,7-dihydro-1-benzofuran-4-one
Also Known As: Curzerenone, curcumone, Zedoarone, Curzerenone C, 4-Bromodihydrofuran-3(2H)-one
| Molecular Formula | C15H18O2 |
|---|---|
| Molecular Weight | 230.13 g/mol |
| LogP | 3.71142 |
| Topological Polar Surface Area | 30.21 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 230.13068 |
| Heavy Atoms | 17 |
| Complexity | 506.99155 |
Chemical Identifiers
| CAS Number | 78964-39-3 |
|---|---|
| SMILES | CC1=COC2=C1C(=O)[C@@H]([C@@](C2)(C)C=C)C(=C)C |
Product Overview
莪术酮 (CAS 78964-39-3), with molecular formula C15H18O2 and molecular weight 230.13 g/mol. IUPAC: (5R,6R)-6-ethenyl-3,6-dimethyl-5-prop-1-en-2-yl-5,7-dihydro-1-benzofuran-4-one.
Chemical Property Profile of 莪术酮
Property Insights of 莪术酮
The XLogP value of 3.71142 indicates that 莪术酮 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 30.21 Ų, 莪术酮 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 莪术酮 has 0 hydrogen bond donor(s) and 2 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 莪术酮?
The CAS number of 莪术酮 is 78964-39-3.
What is the molecular formula of 莪术酮?
The molecular formula of 莪术酮 is C15H18O2.
What is the molecular weight of 莪术酮?
The molecular weight of 莪术酮 is 230.13 g/mol.
Where can I buy 莪术酮?
You can request a quote for 莪术酮 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 莪术酮?
Yes, KEHONG BIO provides custom synthesis services for 莪术酮 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.