1-(4-chlorophenyl)-6,7-dimethoxy-1,4-dihydro-3H-isochromen-3-one
TL;DR: 1-(4-chlorophenyl)-6,7-dimethoxy-1,4-dihydro-3H-isochromen-3-one (CAS 167475-75-4) is a chemical compound with molecular formula C17H15ClO4 and molecular weight 318.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-chlorophenyl)-6,7-dimethoxy-1,4-dihydroisochromen-3-one
Also Known As: 1-(4-chlorophenyl)-6,7-dimethoxy-1,4-dihydro-3H-isochromen-3-one, 1-(4-Chlorophenyl)-6,7-dimethoxyisochroman-3-one, 1-(4-chlorophenyl)-6,7-dimethoxy-1,4-dihydroisochromen-3-one, 1-(4-chlorophenyl)-6,7-dimethoxy-isochroman-3-one, 1-(4-chlorophenyl)-6,7-dimethoxy-3,4-dihydro-1H-2-benzopyran-3-one
| Molecular Formula | C17H15ClO4 |
|---|---|
| Molecular Weight | 318.07 g/mol |
| LogP | 3.5459 |
| Topological Polar Surface Area | 44.76 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 318.0659 |
| Heavy Atoms | 22 |
| Complexity | 709.34406 |
Chemical Identifiers
| CAS Number | 167475-75-4 |
|---|---|
| SMILES | COC1=C(C=C2C(OC(=O)CC2=C1)C3=CC=C(C=C3)Cl)OC |
Product Overview
1-(4-chlorophenyl)-6,7-dimethoxy-1,4-dihydro-3H-isochromen-3-one (CAS 167475-75-4), with molecular formula C17H15ClO4 and molecular weight 318.07 g/mol. IUPAC: 1-(4-chlorophenyl)-6,7-dimethoxy-1,4-dihydroisochromen-3-one.
Chemical Property Profile of 1-(4-chlorophenyl)-6,7-dimethoxy-1,4-dihydro-3H-isochromen-3-one
Property Insights of 1-(4-chlorophenyl)-6,7-dimethoxy-1,4-dihydro-3H-isochromen-3-one
The XLogP value of 3.5459 indicates that 1-(4-chlorophenyl)-6,7-dimethoxy-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 44.76 Ų, 1-(4-chlorophenyl)-6,7-dimethoxy-1,4-dihydro-3H-isochromen-3-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(4-chlorophenyl)-6,7-dimethoxy-1,4-dihydro-3H-isochromen-3-one has 0 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 1-(4-chlorophenyl)-6,7-dimethoxy-1,4-dihydro-3H-isochromen-3-one?
The CAS number of 1-(4-chlorophenyl)-6,7-dimethoxy-1,4-dihydro-3H-isochromen-3-one is 167475-75-4.
What is the molecular formula of 1-(4-chlorophenyl)-6,7-dimethoxy-1,4-dihydro-3H-isochromen-3-one?
The molecular formula of 1-(4-chlorophenyl)-6,7-dimethoxy-1,4-dihydro-3H-isochromen-3-one is C17H15ClO4.
What is the molecular weight of 1-(4-chlorophenyl)-6,7-dimethoxy-1,4-dihydro-3H-isochromen-3-one?
The molecular weight of 1-(4-chlorophenyl)-6,7-dimethoxy-1,4-dihydro-3H-isochromen-3-one is 318.07 g/mol.
Where can I buy 1-(4-chlorophenyl)-6,7-dimethoxy-1,4-dihydro-3H-isochromen-3-one?
You can request a quote for 1-(4-chlorophenyl)-6,7-dimethoxy-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-(4-chlorophenyl)-6,7-dimethoxy-1,4-dihydro-3H-isochromen-3-one?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-chlorophenyl)-6,7-dimethoxy-1,4-dihydro-3H-isochromen-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.