1-(3,4-Dimethoxyphenyl)-6,7-diethoxyisochroman-3-one
TL;DR: 1-(3,4-Dimethoxyphenyl)-6,7-diethoxyisochroman-3-one (CAS 672888-72-1) is a chemical compound with molecular formula C21H24O6 and molecular weight 372.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3,4-dimethoxyphenyl)-6,7-diethoxy-1,4-dihydroisochromen-3-one
Also Known As: 1-(3,4-dimethoxyphenyl)-6,7-diethoxyisochroman-3-one, 1-(3,4-dimethoxyphenyl)-6,7-diethoxy-1,4-dihydroisochromen-3-one, 1-(3,4-dimethoxyphenyl)-6,7-diethoxy-1,4-dihydro-3H-isochromen-3-one
| Molecular Formula | C21H24O6 |
|---|---|
| Molecular Weight | 372.16 g/mol |
| LogP | 3.6899 |
| Topological Polar Surface Area | 63.22 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 372.1573 |
| Heavy Atoms | 27 |
| Complexity | 829.6618 |
Chemical Identifiers
| CAS Number | 672888-72-1 |
|---|---|
| SMILES | CCOC1=C(C=C2C(OC(=O)CC2=C1)C3=CC(=C(C=C3)OC)OC)OCC |
Product Overview
1-(3,4-Dimethoxyphenyl)-6,7-diethoxyisochroman-3-one (CAS 672888-72-1), with molecular formula C21H24O6 and molecular weight 372.16 g/mol. IUPAC: 1-(3,4-dimethoxyphenyl)-6,7-diethoxy-1,4-dihydroisochromen-3-one.
Chemical Property Profile of 1-(3,4-Dimethoxyphenyl)-6,7-diethoxyisochroman-3-one
Property Insights of 1-(3,4-Dimethoxyphenyl)-6,7-diethoxyisochroman-3-one
The XLogP value of 3.6899 indicates that 1-(3,4-Dimethoxyphenyl)-6,7-diethoxyisochroman-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-Dimethoxyphenyl)-6,7-diethoxyisochroman-3-one. Following Lipinski's Rule of Five, 1-(3,4-Dimethoxyphenyl)-6,7-diethoxyisochroman-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-Dimethoxyphenyl)-6,7-diethoxyisochroman-3-one?
The CAS number of 1-(3,4-Dimethoxyphenyl)-6,7-diethoxyisochroman-3-one is 672888-72-1.
What is the molecular formula of 1-(3,4-Dimethoxyphenyl)-6,7-diethoxyisochroman-3-one?
The molecular formula of 1-(3,4-Dimethoxyphenyl)-6,7-diethoxyisochroman-3-one is C21H24O6.
What is the molecular weight of 1-(3,4-Dimethoxyphenyl)-6,7-diethoxyisochroman-3-one?
The molecular weight of 1-(3,4-Dimethoxyphenyl)-6,7-diethoxyisochroman-3-one is 372.16 g/mol.
Where can I buy 1-(3,4-Dimethoxyphenyl)-6,7-diethoxyisochroman-3-one?
You can request a quote for 1-(3,4-Dimethoxyphenyl)-6,7-diethoxyisochroman-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-Dimethoxyphenyl)-6,7-diethoxyisochroman-3-one?
Yes, KEHONG BIO provides custom synthesis services for 1-(3,4-Dimethoxyphenyl)-6,7-diethoxyisochroman-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.