1-(1,3-benzodioxol-5-yl)-6,7-dimethoxy-3,4-dihydro-1H-isochromene
TL;DR: 1-(1,3-benzodioxol-5-yl)-6,7-dimethoxy-3,4-dihydro-1H-isochromene (CAS 899369-89-2) is a chemical compound with molecular formula C18H18O5 and molecular weight 314.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(1,3-benzodioxol-5-yl)-6,7-dimethoxy-3,4-dihydro-1H-isochromene
Also Known As: 1-(1,3-benzodioxol-5-yl)-6,7-dimethoxy-3,4-dihydro-1H-isochromene, A4005/0170738, 1-(2H-benzo[d]1,3-dioxolan-5-yl)-6,7-dimethoxyisochromane
| Molecular Formula | C18H18O5 |
|---|---|
| Molecular Weight | 314.12 g/mol |
| LogP | 3.0946 |
| Topological Polar Surface Area | 46.15 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 314.11542 |
| Heavy Atoms | 23 |
| Complexity | 740.43207 |
Chemical Identifiers
| CAS Number | 899369-89-2 |
|---|---|
| SMILES | COC1=C(C=C2C(OCCC2=C1)C3=CC4=C(C=C3)OCO4)OC |
Product Overview
1-(1,3-benzodioxol-5-yl)-6,7-dimethoxy-3,4-dihydro-1H-isochromene (CAS 899369-89-2), with molecular formula C18H18O5 and molecular weight 314.12 g/mol. IUPAC: 1-(1,3-benzodioxol-5-yl)-6,7-dimethoxy-3,4-dihydro-1H-isochromene.
Chemical Property Profile of 1-(1,3-benzodioxol-5-yl)-6,7-dimethoxy-3,4-dihydro-1H-isochromene
Property Insights of 1-(1,3-benzodioxol-5-yl)-6,7-dimethoxy-3,4-dihydro-1H-isochromene
The XLogP value of 3.0946 indicates that 1-(1,3-benzodioxol-5-yl)-6,7-dimethoxy-3,4-dihydro-1H-isochromene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.15 Ų, 1-(1,3-benzodioxol-5-yl)-6,7-dimethoxy-3,4-dihydro-1H-isochromene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(1,3-benzodioxol-5-yl)-6,7-dimethoxy-3,4-dihydro-1H-isochromene 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 1-(1,3-benzodioxol-5-yl)-6,7-dimethoxy-3,4-dihydro-1H-isochromene?
The CAS number of 1-(1,3-benzodioxol-5-yl)-6,7-dimethoxy-3,4-dihydro-1H-isochromene is 899369-89-2.
What is the molecular formula of 1-(1,3-benzodioxol-5-yl)-6,7-dimethoxy-3,4-dihydro-1H-isochromene?
The molecular formula of 1-(1,3-benzodioxol-5-yl)-6,7-dimethoxy-3,4-dihydro-1H-isochromene is C18H18O5.
What is the molecular weight of 1-(1,3-benzodioxol-5-yl)-6,7-dimethoxy-3,4-dihydro-1H-isochromene?
The molecular weight of 1-(1,3-benzodioxol-5-yl)-6,7-dimethoxy-3,4-dihydro-1H-isochromene is 314.12 g/mol.
Where can I buy 1-(1,3-benzodioxol-5-yl)-6,7-dimethoxy-3,4-dihydro-1H-isochromene?
You can request a quote for 1-(1,3-benzodioxol-5-yl)-6,7-dimethoxy-3,4-dihydro-1H-isochromene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(1,3-benzodioxol-5-yl)-6,7-dimethoxy-3,4-dihydro-1H-isochromene?
Yes, KEHONG BIO provides custom synthesis services for 1-(1,3-benzodioxol-5-yl)-6,7-dimethoxy-3,4-dihydro-1H-isochromene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.