杨梅酮
TL;DR: 杨梅酮 (CAS 37451-68-6) is a chemical compound with molecular formula C21H24O5 and molecular weight 356.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
杨梅酮
3,15-dihydroxy-16,17-dimethoxytricyclo[12.3.1.12,6]nonadeca-1(17),2,4,6(19),14(18),15-hexaen-9-one
Also Known As: Myricanone, Sudanblue, HY-N3223, 4CN-2367, 3,15-dihydroxy-16,17-dimethoxytricyclo[12.3.1.12,6]nonadeca-1(17),2,4,6(19),14(18),15-hexaen-9-one
| Molecular Formula | C21H24O5 |
|---|---|
| Molecular Weight | 356.16 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 76.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 356.16238 |
| Heavy Atoms | 26 |
| Complexity | 467.0 |
Chemical Identifiers
| CAS Number | 37451-68-6 |
|---|---|
| SMILES | COC1=C2C=C(CCCCC(=O)CCC3=CC2=C(C=C3)O)C(=C1OC)O |
| InChIKey | ZTSNTUQTNQSIDC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
杨梅酮 (CAS 37451-68-6), with molecular formula C21H24O5 and molecular weight 356.16 g/mol. IUPAC: 3,15-dihydroxy-16,17-dimethoxytricyclo[12.3.1.12,6]nonadeca-1(17),2,4,6(19),14(18),15-hexaen-9-one.
Chemical Property Profile of 杨梅酮
Property Insights of 杨梅酮
The XLogP value of 3.7 indicates that 杨梅酮 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 杨梅酮. Following Lipinski's Rule of Five, 杨梅酮 has 2 hydrogen bond donor(s) and 5 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 杨梅酮?
The CAS number of 杨梅酮 is 37451-68-6.
What is the molecular formula of 杨梅酮?
The molecular formula of 杨梅酮 is C21H24O5.
What is the molecular weight of 杨梅酮?
The molecular weight of 杨梅酮 is 356.16 g/mol.
Where can I buy 杨梅酮?
You can request a quote for 杨梅酮 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 杨梅酮?
Yes, KEHONG BIO provides custom synthesis services for 杨梅酮 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.