Isodalbergin
TL;DR: Isodalbergin (CAS 605-09-4) is a chemical compound with molecular formula C16H12O4 and molecular weight 268.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-hydroxy-6-methoxy-4-phenylchromen-2-one
Also Known As: Isodalbergin, 7-Hydroxy-6-methoxy-4-phenylcoumarin, 7-hydroxy-6-methoxy-4-phenylchromen-2-one, RefChem:149247
| Molecular Formula | C16H12O4 |
|---|---|
| Molecular Weight | 268.07 g/mol |
| LogP | 3.1742 |
| Topological Polar Surface Area | 59.67 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 268.07355 |
| Heavy Atoms | 20 |
| Complexity | 818.99475 |
Chemical Identifiers
| CAS Number | 605-09-4 |
|---|---|
| SMILES | COC1=C(C=C2C(=C1)C(=CC(=O)O2)C3=CC=CC=C3)O |
Product Overview
Isodalbergin (CAS 605-09-4), with molecular formula C16H12O4 and molecular weight 268.07 g/mol. IUPAC: 7-hydroxy-6-methoxy-4-phenylchromen-2-one.
Chemical Property Profile of Isodalbergin
Property Insights of Isodalbergin
The XLogP value of 3.1742 indicates that Isodalbergin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.67 Ų, Isodalbergin exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isodalbergin has 1 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 Isodalbergin?
The CAS number of Isodalbergin is 605-09-4.
What is the molecular formula of Isodalbergin?
The molecular formula of Isodalbergin is C16H12O4.
What is the molecular weight of Isodalbergin?
The molecular weight of Isodalbergin is 268.07 g/mol.
Where can I buy Isodalbergin?
You can request a quote for Isodalbergin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isodalbergin?
Yes, KEHONG BIO provides custom synthesis services for Isodalbergin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.