甜橙素
TL;DR: 甜橙素 (CAS 27181-91-5) is a chemical compound with molecular formula C20H20O7 and molecular weight 372.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
甜橙素
2-(3,4-dimethoxyphenyl)-5,6,7-trimethoxychromen-4-one
Also Known As: Sinensetin, Pedalitin permethyl ether, sinenstein, sinesetin, 5,6,7,3',4'-Pentamethoxyflavone
| Molecular Formula | C20H20O7 |
|---|---|
| Molecular Weight | 372.12 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 72.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 372.1209 |
| Heavy Atoms | 27 |
| Complexity | 548.0 |
| Melting Point | 179 °C |
Chemical Identifiers
| CAS Number | 27181-91-5 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C2=CC(=O)C3=C(C(=C(C=C3O2)OC)OC)OC)OC |
| InChIKey | LKMNXYDUQXAUCZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
甜橙素 (CAS 27181-91-5), with molecular formula C20H20O7 and molecular weight 372.12 g/mol. IUPAC: 2-(3,4-dimethoxyphenyl)-5,6,7-trimethoxychromen-4-one.
Chemical Property Profile of 甜橙素
Property Insights of 甜橙素
The XLogP value of 3.0 indicates that 甜橙素 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 甜橙素. Following Lipinski's Rule of Five, 甜橙素 has 0 hydrogen bond donor(s) and 7 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 甜橙素?
The CAS number of 甜橙素 is 27181-91-5.
What is the molecular formula of 甜橙素?
The molecular formula of 甜橙素 is C20H20O7.
What is the molecular weight of 甜橙素?
The molecular weight of 甜橙素 is 372.12 g/mol.
Where can I buy 甜橙素?
You can request a quote for 甜橙素 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 甜橙素?
Yes, KEHONG BIO provides custom synthesis services for 甜橙素 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.