Isotrifoliol
TL;DR: Isotrifoliol (CAS 329319-08-6) is a chemical compound with molecular formula C16H10O6 and molecular weight 298.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,9-dihydroxy-1-methoxy-[1]benzofuro[3,2-c]chromen-6-one
Also Known As: Isotrifoliol, isotrifloliol, 3,9-Dihydroxy-1-methoxycoumestan, 3,9-dihydroxy-1-methoxy-[1]benzofuro[3,2-c]chromen-6-one, 6H-Benzofuro(3,2-C)(1)benzopyran-6-one, 3,9-dihydroxy-1-methoxy-
| Molecular Formula | C16H10O6 |
|---|---|
| Molecular Weight | 298.05 g/mol |
| LogP | 3.1122 |
| Topological Polar Surface Area | 93.04 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 1 |
| Exact Mass | 298.04773 |
| Heavy Atoms | 22 |
| Complexity | 1102.6658 |
Chemical Identifiers
| CAS Number | 329319-08-6 |
|---|---|
| SMILES | COC1=CC(=CC2=C1C3=C(C4=C(O3)C=C(C=C4)O)C(=O)O2)O |
Product Overview
Isotrifoliol (CAS 329319-08-6), with molecular formula C16H10O6 and molecular weight 298.05 g/mol. IUPAC: 3,9-dihydroxy-1-methoxy-[1]benzofuro[3,2-c]chromen-6-one.
Chemical Property Profile of Isotrifoliol
Property Insights of Isotrifoliol
The XLogP value of 3.1122 indicates that Isotrifoliol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 93.04 Ų falls within the moderate polarity range, balancing permeability and solubility for Isotrifoliol. Following Lipinski's Rule of Five, Isotrifoliol has 2 hydrogen bond donor(s) and 6 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 Isotrifoliol?
The CAS number of Isotrifoliol is 329319-08-6.
What is the molecular formula of Isotrifoliol?
The molecular formula of Isotrifoliol is C16H10O6.
What is the molecular weight of Isotrifoliol?
The molecular weight of Isotrifoliol is 298.05 g/mol.
Where can I buy Isotrifoliol?
You can request a quote for Isotrifoliol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isotrifoliol?
Yes, KEHONG BIO provides custom synthesis services for Isotrifoliol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.