3-(4-Hydroxybenzylidene)-5,7-dihydroxy-6-methoxychroman-4-on e
TL;DR: 3-(4-Hydroxybenzylidene)-5,7-dihydroxy-6-methoxychroman-4-on e (CAS 27435-01-4) is a chemical compound with molecular formula C17H14O6 and molecular weight 314.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3E)-5,7-dihydroxy-3-[(4-hydroxyphenyl)methylidene]-6-methoxychromen-4-one
Also Known As: Autumnalin, Eucomnalin, 5,7,4?-Trihydroxy-6-methoxyhomoisoflavanone, 3-(4-Hydroxybenzylidene)-5,7-dihydroxy-6-methoxychroman-4-on e, 3-[(E)-4-Hydroxybenzylidene]-5,7-dihydroxy-6-methoxychroman-4-one
| Molecular Formula | C17H14O6 |
|---|---|
| Molecular Weight | 314.08 g/mol |
| LogP | 2.4707 |
| Topological Polar Surface Area | 96.22 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 314.07904 |
| Heavy Atoms | 23 |
| Complexity | 804.82355 |
Chemical Identifiers
| CAS Number | 27435-01-4 |
|---|---|
| SMILES | COC1=C(C2=C(C=C1O)OC/C(=C\C3=CC=C(C=C3)O)/C2=O)O |
Product Overview
3-(4-Hydroxybenzylidene)-5,7-dihydroxy-6-methoxychroman-4-on e (CAS 27435-01-4), with molecular formula C17H14O6 and molecular weight 314.08 g/mol. IUPAC: (3E)-5,7-dihydroxy-3-[(4-hydroxyphenyl)methylidene]-6-methoxychromen-4-one.
Chemical Property Profile of 3-(4-Hydroxybenzylidene)-5,7-dihydroxy-6-methoxychroman-4-on e
Property Insights of 3-(4-Hydroxybenzylidene)-5,7-dihydroxy-6-methoxychroman-4-on e
The XLogP value of 2.4707 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(4-Hydroxybenzylidene)-5,7-dihydroxy-6-methoxychroman-4-on e. The TPSA of 96.22 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(4-Hydroxybenzylidene)-5,7-dihydroxy-6-methoxychroman-4-on e. Following Lipinski's Rule of Five, 3-(4-Hydroxybenzylidene)-5,7-dihydroxy-6-methoxychroman-4-on e 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 3-(4-Hydroxybenzylidene)-5,7-dihydroxy-6-methoxychroman-4-on e?
The CAS number of 3-(4-Hydroxybenzylidene)-5,7-dihydroxy-6-methoxychroman-4-on e is 27435-01-4.
What is the molecular formula of 3-(4-Hydroxybenzylidene)-5,7-dihydroxy-6-methoxychroman-4-on e?
The molecular formula of 3-(4-Hydroxybenzylidene)-5,7-dihydroxy-6-methoxychroman-4-on e is C17H14O6.
What is the molecular weight of 3-(4-Hydroxybenzylidene)-5,7-dihydroxy-6-methoxychroman-4-on e?
The molecular weight of 3-(4-Hydroxybenzylidene)-5,7-dihydroxy-6-methoxychroman-4-on e is 314.08 g/mol.
Where can I buy 3-(4-Hydroxybenzylidene)-5,7-dihydroxy-6-methoxychroman-4-on e?
You can request a quote for 3-(4-Hydroxybenzylidene)-5,7-dihydroxy-6-methoxychroman-4-on e directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(4-Hydroxybenzylidene)-5,7-dihydroxy-6-methoxychroman-4-on e?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-Hydroxybenzylidene)-5,7-dihydroxy-6-methoxychroman-4-on e and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.