Neophellamuretin
TL;DR: Neophellamuretin (CAS 52589-20-5) is a chemical compound with molecular formula C20H20O6 and molecular weight 356.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,5,7-trihydroxy-2-(4-hydroxyphenyl)-8-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one
Also Known As: Neophellamuretin, NCI60_013441, 5,7,4'-trihydroxy-8-c-prenyldihydro-flavonol, 3,5,7-Trihydroxy-2-(4-hydroxyphenyl)-8-(3-methyl-2-butenyl)-2,3-dihydro-4H-chromen-4-one, 3,5,7-trihydroxy-2-(4-hydroxyphenyl)-8-(3-methylbut-2-enyl)chroman-4-one
| Molecular Formula | C20H20O6 |
|---|---|
| Molecular Weight | 356.13 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 107.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 356.12598 |
| Heavy Atoms | 26 |
| Complexity | 534.0 |
Chemical Identifiers
| CAS Number | 52589-20-5 |
|---|---|
| SMILES | CC(=CCC1=C2C(=C(C=C1O)O)C(=O)C(C(O2)C3=CC=C(C=C3)O)O)C |
| InChIKey | IPWPEUJWMOPJDG-UHFFFAOYSA-N |
Product Overview
Neophellamuretin (CAS 52589-20-5), with molecular formula C20H20O6 and molecular weight 356.13 g/mol. IUPAC: 3,5,7-trihydroxy-2-(4-hydroxyphenyl)-8-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one.
Chemical Property Profile of Neophellamuretin
Property Insights of Neophellamuretin
The XLogP value of 3.8 indicates that Neophellamuretin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 107.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Neophellamuretin. Following Lipinski's Rule of Five, Neophellamuretin has 4 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 Neophellamuretin?
The CAS number of Neophellamuretin is 52589-20-5.
What is the molecular formula of Neophellamuretin?
The molecular formula of Neophellamuretin is C20H20O6.
What is the molecular weight of Neophellamuretin?
The molecular weight of Neophellamuretin is 356.13 g/mol.
Where can I buy Neophellamuretin?
You can request a quote for Neophellamuretin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Neophellamuretin?
Yes, KEHONG BIO provides custom synthesis services for Neophellamuretin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.