6,7-diethoxy-1-(4-ethoxyphenyl)-1,4-dihydro-3H-isochromen-3-one
TL;DR: 6,7-diethoxy-1-(4-ethoxyphenyl)-1,4-dihydro-3H-isochromen-3-one (CAS 671761-89-0) is a chemical compound with molecular formula C21H24O5 and molecular weight 356.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6,7-diethoxy-1-(4-ethoxyphenyl)-1,4-dihydroisochromen-3-one
Also Known As: 6,7-diethoxy-1-(4-ethoxyphenyl)isochroman-3-one, 6,7-diethoxy-1-(4-ethoxyphenyl)-1,4-dihydroisochromen-3-one, 6,7-diethoxy-1-(4-ethoxyphenyl)-1,4-dihydro-3H-isochromen-3-one, 6,7-DIETHOXY-1-(4-ETHOXYPHENYL)-3,4-DIHYDRO-1H-2-BENZOPYRAN-3-ONE
| Molecular Formula | C21H24O5 |
|---|---|
| Molecular Weight | 356.16 g/mol |
| LogP | 4.0714 |
| Topological Polar Surface Area | 53.99 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 356.16238 |
| Heavy Atoms | 26 |
| Complexity | 766.71606 |
Chemical Identifiers
| CAS Number | 671761-89-0 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)C2C3=CC(=C(C=C3CC(=O)O2)OCC)OCC |
Product Overview
6,7-diethoxy-1-(4-ethoxyphenyl)-1,4-dihydro-3H-isochromen-3-one (CAS 671761-89-0), with molecular formula C21H24O5 and molecular weight 356.16 g/mol. IUPAC: 6,7-diethoxy-1-(4-ethoxyphenyl)-1,4-dihydroisochromen-3-one.
Chemical Property Profile of 6,7-diethoxy-1-(4-ethoxyphenyl)-1,4-dihydro-3H-isochromen-3-one
Property Insights of 6,7-diethoxy-1-(4-ethoxyphenyl)-1,4-dihydro-3H-isochromen-3-one
The XLogP value of 4.0714 indicates that 6,7-diethoxy-1-(4-ethoxyphenyl)-1,4-dihydro-3H-isochromen-3-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 53.99 Ų, 6,7-diethoxy-1-(4-ethoxyphenyl)-1,4-dihydro-3H-isochromen-3-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6,7-diethoxy-1-(4-ethoxyphenyl)-1,4-dihydro-3H-isochromen-3-one has 0 hydrogen bond donor(s) and 5 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 6,7-diethoxy-1-(4-ethoxyphenyl)-1,4-dihydro-3H-isochromen-3-one?
The CAS number of 6,7-diethoxy-1-(4-ethoxyphenyl)-1,4-dihydro-3H-isochromen-3-one is 671761-89-0.
What is the molecular formula of 6,7-diethoxy-1-(4-ethoxyphenyl)-1,4-dihydro-3H-isochromen-3-one?
The molecular formula of 6,7-diethoxy-1-(4-ethoxyphenyl)-1,4-dihydro-3H-isochromen-3-one is C21H24O5.
What is the molecular weight of 6,7-diethoxy-1-(4-ethoxyphenyl)-1,4-dihydro-3H-isochromen-3-one?
The molecular weight of 6,7-diethoxy-1-(4-ethoxyphenyl)-1,4-dihydro-3H-isochromen-3-one is 356.16 g/mol.
Where can I buy 6,7-diethoxy-1-(4-ethoxyphenyl)-1,4-dihydro-3H-isochromen-3-one?
You can request a quote for 6,7-diethoxy-1-(4-ethoxyphenyl)-1,4-dihydro-3H-isochromen-3-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6,7-diethoxy-1-(4-ethoxyphenyl)-1,4-dihydro-3H-isochromen-3-one?
Yes, KEHONG BIO provides custom synthesis services for 6,7-diethoxy-1-(4-ethoxyphenyl)-1,4-dihydro-3H-isochromen-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.