Isoferreirin
TL;DR: Isoferreirin (CAS 76656-75-2) is a chemical compound with molecular formula C16H14O6 and molecular weight 302.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5,7-dihydroxy-3-(4-hydroxy-2-methoxyphenyl)-2,3-dihydrochromen-4-one
Also Known As: Isoferreirin, 4',5,7-Trihydroxy-2'-methoxyisoflavanone, 4H-1-Benzopyran-4-one, 2,3-dihydro-5,7-dihydroxy-3-(4-hydroxy-2-methoxyphenyl)-, 5,7-dihydroxy-3-(4-hydroxy-2-methoxyphenyl)chroman-4-one, 5,7-dihydroxy-3-(4-hydroxy-2-methoxyphenyl)-2,3-dihydrochromen-4-one
| Molecular Formula | C16H14O6 |
|---|---|
| Molecular Weight | 302.08 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 96.2 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 302.07904 |
| Heavy Atoms | 22 |
| Complexity | 413.0 |
Chemical Identifiers
| CAS Number | 76656-75-2 |
|---|---|
| SMILES | COC1=C(C=CC(=C1)O)C2COC3=CC(=CC(=C3C2=O)O)O |
| InChIKey | VODZWHSRITUHNI-UHFFFAOYSA-N |
Product Overview
Isoferreirin (CAS 76656-75-2), with molecular formula C16H14O6 and molecular weight 302.08 g/mol. IUPAC: 5,7-dihydroxy-3-(4-hydroxy-2-methoxyphenyl)-2,3-dihydrochromen-4-one.
Chemical Property Profile of Isoferreirin
Property Insights of Isoferreirin
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Isoferreirin. The TPSA of 96.2 Ų falls within the moderate polarity range, balancing permeability and solubility for Isoferreirin. Following Lipinski's Rule of Five, Isoferreirin has 3 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 Isoferreirin?
The CAS number of Isoferreirin is 76656-75-2.
What is the molecular formula of Isoferreirin?
The molecular formula of Isoferreirin is C16H14O6.
What is the molecular weight of Isoferreirin?
The molecular weight of Isoferreirin is 302.08 g/mol.
Where can I buy Isoferreirin?
You can request a quote for Isoferreirin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isoferreirin?
Yes, KEHONG BIO provides custom synthesis services for Isoferreirin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.