荆芥素
TL;DR: 荆芥素 (CAS 520-11-6) is a chemical compound with molecular formula C16H12O7 and molecular weight 316.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
荆芥素
2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-6-methoxychromen-4-one
Also Known As: Nepetin, 6-Methoxyluteolin, EUPAFOLIN, Eurafolin, Nepetin (Standard)
| Molecular Formula | C16H12O7 |
|---|---|
| Molecular Weight | 316.06 g/mol |
| LogP | 2.291 |
| Topological Polar Surface Area | 120.36 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 2 |
| Exact Mass | 316.0583 |
| Heavy Atoms | 23 |
| Complexity | 972.3052 |
Chemical Identifiers
| CAS Number | 520-11-6 |
|---|---|
| SMILES | COC1=C(C2=C(C=C1O)OC(=CC2=O)C3=CC(=C(C=C3)O)O)O |
Product Overview
荆芥素 (CAS 520-11-6), with molecular formula C16H12O7 and molecular weight 316.06 g/mol. IUPAC: 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-6-methoxychromen-4-one.
Chemical Property Profile of 荆芥素
Property Insights of 荆芥素
The XLogP value of 2.291 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 荆芥素. The TPSA of 120.36 Ų falls within the moderate polarity range, balancing permeability and solubility for 荆芥素. Following Lipinski's Rule of Five, 荆芥素 has 4 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 荆芥素?
The CAS number of 荆芥素 is 520-11-6.
What is the molecular formula of 荆芥素?
The molecular formula of 荆芥素 is C16H12O7.
What is the molecular weight of 荆芥素?
The molecular weight of 荆芥素 is 316.06 g/mol.
Where can I buy 荆芥素?
You can request a quote for 荆芥素 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 荆芥素?
Yes, KEHONG BIO provides custom synthesis services for 荆芥素 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.