七叶素
TL;DR: 七叶素 (CAS 91754-74-4) is a chemical compound with molecular formula C9H6O4 and molecular weight 178.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
七叶素
6,7-dihydroxychromen-2-one
Also Known As: Esculetin, Aesculetin, 6,7-DIHYDROXYCOUMARIN, Cichorigenin, Esculetol
| Molecular Formula | C9H6O4 |
|---|---|
| Molecular Weight | 178.03 g/mol |
| LogP | 1.2042 |
| Topological Polar Surface Area | 70.67 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 178.02661 |
| Heavy Atoms | 13 |
| Complexity | 512.4939 |
Chemical Identifiers
| CAS Number | 91754-74-4 |
|---|---|
| SMILES | C1=CC(=O)OC2=CC(=C(C=C21)O)O |
Product Overview
七叶素 (CAS 91754-74-4), with molecular formula C9H6O4 and molecular weight 178.03 g/mol. IUPAC: 6,7-dihydroxychromen-2-one.
Chemical Property Profile of 七叶素
Property Insights of 七叶素
The XLogP value of 1.2042 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 七叶素. The TPSA of 70.67 Ų falls within the moderate polarity range, balancing permeability and solubility for 七叶素. Following Lipinski's Rule of Five, 七叶素 has 2 hydrogen bond donor(s) and 4 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 七叶素?
The CAS number of 七叶素 is 91754-74-4.
What is the molecular formula of 七叶素?
The molecular formula of 七叶素 is C9H6O4.
What is the molecular weight of 七叶素?
The molecular weight of 七叶素 is 178.03 g/mol.
Where can I buy 七叶素?
You can request a quote for 七叶素 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 七叶素?
Yes, KEHONG BIO provides custom synthesis services for 七叶素 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.