1-(3,4-diethoxyphenyl)-6,7-diethoxy-1,4-dihydro-3H-isochromen-3-one
TL;DR: 1-(3,4-diethoxyphenyl)-6,7-diethoxy-1,4-dihydro-3H-isochromen-3-one (CAS 672903-05-8) is a chemical compound with molecular formula C23H28O6 and molecular weight 400.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3,4-diethoxyphenyl)-6,7-diethoxy-1,4-dihydroisochromen-3-one
Also Known As: 1-(3,4-diethoxyphenyl)-6,7-diethoxyisochroman-3-one, 1-(3,4-diethoxyphenyl)-6,7-diethoxy-1,4-dihydroisochromen-3-one, 1-(3,4-diethoxyphenyl)-6,7-diethoxy-1,4-dihydro-3H-isochromen-3-one, 1-(3,4-DIETHOXYPHENYL)-6,7-DIETHOXY-3,4-DIHYDRO-1H-2-BENZOPYRAN-3-ONE
| Molecular Formula | C23H28O6 |
|---|---|
| Molecular Weight | 400.19 g/mol |
| LogP | 4.4701 |
| Topological Polar Surface Area | 63.22 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 400.1886 |
| Heavy Atoms | 29 |
| Complexity | 860.6868 |
Chemical Identifiers
| CAS Number | 672903-05-8 |
|---|---|
| SMILES | CCOC1=C(C=C(C=C1)C2C3=CC(=C(C=C3CC(=O)O2)OCC)OCC)OCC |
Product Overview
1-(3,4-diethoxyphenyl)-6,7-diethoxy-1,4-dihydro-3H-isochromen-3-one (CAS 672903-05-8), with molecular formula C23H28O6 and molecular weight 400.19 g/mol. IUPAC: 1-(3,4-diethoxyphenyl)-6,7-diethoxy-1,4-dihydroisochromen-3-one.
Chemical Property Profile of 1-(3,4-diethoxyphenyl)-6,7-diethoxy-1,4-dihydro-3H-isochromen-3-one
Property Insights of 1-(3,4-diethoxyphenyl)-6,7-diethoxy-1,4-dihydro-3H-isochromen-3-one
The XLogP value of 4.4701 indicates that 1-(3,4-diethoxyphenyl)-6,7-diethoxy-1,4-dihydro-3H-isochromen-3-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.22 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(3,4-diethoxyphenyl)-6,7-diethoxy-1,4-dihydro-3H-isochromen-3-one. Following Lipinski's Rule of Five, 1-(3,4-diethoxyphenyl)-6,7-diethoxy-1,4-dihydro-3H-isochromen-3-one has 0 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 1-(3,4-diethoxyphenyl)-6,7-diethoxy-1,4-dihydro-3H-isochromen-3-one?
The CAS number of 1-(3,4-diethoxyphenyl)-6,7-diethoxy-1,4-dihydro-3H-isochromen-3-one is 672903-05-8.
What is the molecular formula of 1-(3,4-diethoxyphenyl)-6,7-diethoxy-1,4-dihydro-3H-isochromen-3-one?
The molecular formula of 1-(3,4-diethoxyphenyl)-6,7-diethoxy-1,4-dihydro-3H-isochromen-3-one is C23H28O6.
What is the molecular weight of 1-(3,4-diethoxyphenyl)-6,7-diethoxy-1,4-dihydro-3H-isochromen-3-one?
The molecular weight of 1-(3,4-diethoxyphenyl)-6,7-diethoxy-1,4-dihydro-3H-isochromen-3-one is 400.19 g/mol.
Where can I buy 1-(3,4-diethoxyphenyl)-6,7-diethoxy-1,4-dihydro-3H-isochromen-3-one?
You can request a quote for 1-(3,4-diethoxyphenyl)-6,7-diethoxy-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 1-(3,4-diethoxyphenyl)-6,7-diethoxy-1,4-dihydro-3H-isochromen-3-one?
Yes, KEHONG BIO provides custom synthesis services for 1-(3,4-diethoxyphenyl)-6,7-diethoxy-1,4-dihydro-3H-isochromen-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.