3-(4-Hydroxybenzyl)-5,7-dihydroxy-6-methoxychroman-4-one
TL;DR: 3-(4-Hydroxybenzyl)-5,7-dihydroxy-6-methoxychroman-4-one (CAS 27435-03-6) is a chemical compound with molecular formula C17H16O6 and molecular weight 316.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5,7-dihydroxy-3-[(4-hydroxyphenyl)methyl]-6-methoxy-2,3-dihydrochromen-4-one
Also Known As: 3,9-Dihydroautumnalin, 3,9-Dihydroeucomnalin, NCI60_041425, 3-(4-Hydroxybenzyl)-5,7-dihydroxy-6-methoxychroman-4-one, 5,7-Dihydroxy-3-(4-hydroxybenzyl)-6-methoxychroman-4-one
| Molecular Formula | C17H16O6 |
|---|---|
| Molecular Weight | 316.09 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 96.2 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 316.0947 |
| Heavy Atoms | 23 |
| Complexity | 419.0 |
Chemical Identifiers
| CAS Number | 27435-03-6 |
|---|---|
| SMILES | COC1=C(C2=C(C=C1O)OCC(C2=O)CC3=CC=C(C=C3)O)O |
| InChIKey | CGCVUMRAPMFWDT-UHFFFAOYSA-N |
Product Overview
3-(4-Hydroxybenzyl)-5,7-dihydroxy-6-methoxychroman-4-one (CAS 27435-03-6), with molecular formula C17H16O6 and molecular weight 316.09 g/mol. IUPAC: 5,7-dihydroxy-3-[(4-hydroxyphenyl)methyl]-6-methoxy-2,3-dihydrochromen-4-one.
Chemical Property Profile of 3-(4-Hydroxybenzyl)-5,7-dihydroxy-6-methoxychroman-4-one
Property Insights of 3-(4-Hydroxybenzyl)-5,7-dihydroxy-6-methoxychroman-4-one
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(4-Hydroxybenzyl)-5,7-dihydroxy-6-methoxychroman-4-one. The TPSA of 96.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(4-Hydroxybenzyl)-5,7-dihydroxy-6-methoxychroman-4-one. Following Lipinski's Rule of Five, 3-(4-Hydroxybenzyl)-5,7-dihydroxy-6-methoxychroman-4-one 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-Hydroxybenzyl)-5,7-dihydroxy-6-methoxychroman-4-one?
The CAS number of 3-(4-Hydroxybenzyl)-5,7-dihydroxy-6-methoxychroman-4-one is 27435-03-6.
What is the molecular formula of 3-(4-Hydroxybenzyl)-5,7-dihydroxy-6-methoxychroman-4-one?
The molecular formula of 3-(4-Hydroxybenzyl)-5,7-dihydroxy-6-methoxychroman-4-one is C17H16O6.
What is the molecular weight of 3-(4-Hydroxybenzyl)-5,7-dihydroxy-6-methoxychroman-4-one?
The molecular weight of 3-(4-Hydroxybenzyl)-5,7-dihydroxy-6-methoxychroman-4-one is 316.09 g/mol.
Where can I buy 3-(4-Hydroxybenzyl)-5,7-dihydroxy-6-methoxychroman-4-one?
You can request a quote for 3-(4-Hydroxybenzyl)-5,7-dihydroxy-6-methoxychroman-4-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(4-Hydroxybenzyl)-5,7-dihydroxy-6-methoxychroman-4-one?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-Hydroxybenzyl)-5,7-dihydroxy-6-methoxychroman-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.