线蓟素
TL;DR: 线蓟素 (CAS 39006-59-2) is a chemical compound with molecular formula C17H14O7 and molecular weight 330.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
线蓟素
2-(3,4-dihydroxyphenyl)-5-hydroxy-6,7-dimethoxychromen-4-one
Also Known As: Cirsiliol, Crisiliol, circiliol, 6,7-DIMETHOXY-3',4',5-TRIHYDROXYFLAVONE, 3',4',5-Trihydroxy-6,7-dimethoxyflavone
| Molecular Formula | C17H14O7 |
|---|---|
| Molecular Weight | 330.07 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 105.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 330.07394 |
| Heavy Atoms | 24 |
| Complexity | 505.0 |
Chemical Identifiers
| CAS Number | 39006-59-2 |
|---|---|
| SMILES | COC1=C(C(=C2C(=C1)OC(=CC2=O)C3=CC(=C(C=C3)O)O)O)OC |
| InChIKey | IMEYGBIXGJLUIS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
线蓟素 (CAS 39006-59-2), with molecular formula C17H14O7 and molecular weight 330.07 g/mol. IUPAC: 2-(3,4-dihydroxyphenyl)-5-hydroxy-6,7-dimethoxychromen-4-one.
Chemical Property Profile of 线蓟素
Property Insights of 线蓟素
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 线蓟素. The TPSA of 105.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 线蓟素. Following Lipinski's Rule of Five, 线蓟素 has 3 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 线蓟素?
The CAS number of 线蓟素 is 39006-59-2.
What is the molecular formula of 线蓟素?
The molecular formula of 线蓟素 is C17H14O7.
What is the molecular weight of 线蓟素?
The molecular weight of 线蓟素 is 330.07 g/mol.
Where can I buy 线蓟素?
You can request a quote for 线蓟素 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 线蓟素?
Yes, KEHONG BIO provides custom synthesis services for 线蓟素 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.