7-Hydroxy-3',4'-methylenedioxyflavan
TL;DR: 7-Hydroxy-3',4'-methylenedioxyflavan (CAS 95519-19-0) is a chemical compound with molecular formula C16H14O4 and molecular weight 270.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-2-(1,3-benzodioxol-5-yl)-3,4-dihydro-2H-chromen-7-ol
Also Known As: 7-Hydroxy-3',4'-methylenedioxyflavan, 2-Cyclohexen-1-one,2-(3-oxohexyl), 7-Hydroxy-3',4'-(methylenedioxy)flavan, 2-benzo[d]1,3-dioxolan-5-ylchroman-7-ol, 2-(benzo[d][1,3]dioxol-5-yl)chroman-7-ol
| Molecular Formula | C16H14O4 |
|---|---|
| Molecular Weight | 270.09 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 47.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 270.0892 |
| Heavy Atoms | 20 |
| Complexity | 347.0 |
Chemical Identifiers
| CAS Number | 95519-19-0 |
|---|---|
| SMILES | C1CC2=C(C=C(C=C2)O)O[C@@H]1C3=CC4=C(C=C3)OCO4 |
| InChIKey | DGOAORIWKTZFLK-ZDUSSCGKSA-N |
Product Overview
7-Hydroxy-3',4'-methylenedioxyflavan (CAS 95519-19-0), with molecular formula C16H14O4 and molecular weight 270.09 g/mol. IUPAC: (2S)-2-(1,3-benzodioxol-5-yl)-3,4-dihydro-2H-chromen-7-ol.
Chemical Property Profile of 7-Hydroxy-3',4'-methylenedioxyflavan
Property Insights of 7-Hydroxy-3',4'-methylenedioxyflavan
The XLogP value of 3.3 indicates that 7-Hydroxy-3',4'-methylenedioxyflavan is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 47.9 Ų, 7-Hydroxy-3',4'-methylenedioxyflavan exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 7-Hydroxy-3',4'-methylenedioxyflavan 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 7-Hydroxy-3',4'-methylenedioxyflavan?
The CAS number of 7-Hydroxy-3',4'-methylenedioxyflavan is 95519-19-0.
What is the molecular formula of 7-Hydroxy-3',4'-methylenedioxyflavan?
The molecular formula of 7-Hydroxy-3',4'-methylenedioxyflavan is C16H14O4.
What is the molecular weight of 7-Hydroxy-3',4'-methylenedioxyflavan?
The molecular weight of 7-Hydroxy-3',4'-methylenedioxyflavan is 270.09 g/mol.
Where can I buy 7-Hydroxy-3',4'-methylenedioxyflavan?
You can request a quote for 7-Hydroxy-3',4'-methylenedioxyflavan directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7-Hydroxy-3',4'-methylenedioxyflavan?
Yes, KEHONG BIO provides custom synthesis services for 7-Hydroxy-3',4'-methylenedioxyflavan and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.