3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-oxo-6-propyl-4H-chromen-7-yl 3,4,5-trimethoxybenzoate
TL;DR: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-oxo-6-propyl-4H-chromen-7-yl 3,4,5-trimethoxybenzoate (CAS 618389-06-3) is a chemical compound with molecular formula C31H30O9 and molecular weight 546.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-oxo-6-propylchromen-7-yl] 3,4,5-trimethoxybenzoate
Also Known As: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-oxo-6-propyl-4H-chromen-7-yl 3,4,5-trimethoxybenzoate, [3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-oxo-6-propylchromen-7-yl] 3,4,5-trimethoxybenzoate, 3-(2H,3H,4H-benzo[b]1,4-dioxepan-7-yl)-4-oxo-6-propylchromen-7-yl 3,4,5-trimet hoxybenzoate, 3-(3,4-dihydro-2H-benzo[b][1,4]dioxepin-7-yl)-4-oxo-6-propyl-4H-chromen-7-yl 3,4,5-trimethoxybenzoate
| Molecular Formula | C31H30O9 |
|---|---|
| Molecular Weight | 546.19 g/mol |
| LogP | 5.8188 |
| Topological Polar Surface Area | 102.66 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 8 |
| Exact Mass | 546.18896 |
| Heavy Atoms | 40 |
| Complexity | 1594.6786 |
Chemical Identifiers
| CAS Number | 618389-06-3 |
|---|---|
| SMILES | CCCC1=CC2=C(C=C1OC(=O)C3=CC(=C(C(=C3)OC)OC)OC)OC=C(C2=O)C4=CC5=C(C=C4)OCCCO5 |
Product Overview
3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-oxo-6-propyl-4H-chromen-7-yl 3,4,5-trimethoxybenzoate (CAS 618389-06-3), with molecular formula C31H30O9 and molecular weight 546.19 g/mol. IUPAC: [3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-oxo-6-propylchromen-7-yl] 3,4,5-trimethoxybenzoate.
Chemical Property Profile of 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-oxo-6-propyl-4H-chromen-7-yl 3,4,5-trimethoxybenzoate
Property Insights of 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-oxo-6-propyl-4H-chromen-7-yl 3,4,5-trimethoxybenzoate
The XLogP value of 5.8188 indicates that 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-oxo-6-propyl-4H-chromen-7-yl 3,4,5-trimethoxybenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 102.66 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-oxo-6-propyl-4H-chromen-7-yl 3,4,5-trimethoxybenzoate. Following Lipinski's Rule of Five, 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-oxo-6-propyl-4H-chromen-7-yl 3,4,5-trimethoxybenzoate has 0 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-oxo-6-propyl-4H-chromen-7-yl 3,4,5-trimethoxybenzoate?
The CAS number of 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-oxo-6-propyl-4H-chromen-7-yl 3,4,5-trimethoxybenzoate is 618389-06-3.
What is the molecular formula of 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-oxo-6-propyl-4H-chromen-7-yl 3,4,5-trimethoxybenzoate?
The molecular formula of 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-oxo-6-propyl-4H-chromen-7-yl 3,4,5-trimethoxybenzoate is C31H30O9.
What is the molecular weight of 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-oxo-6-propyl-4H-chromen-7-yl 3,4,5-trimethoxybenzoate?
The molecular weight of 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-oxo-6-propyl-4H-chromen-7-yl 3,4,5-trimethoxybenzoate is 546.19 g/mol.
Where can I buy 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-oxo-6-propyl-4H-chromen-7-yl 3,4,5-trimethoxybenzoate?
You can request a quote for 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-oxo-6-propyl-4H-chromen-7-yl 3,4,5-trimethoxybenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-oxo-6-propyl-4H-chromen-7-yl 3,4,5-trimethoxybenzoate?
Yes, KEHONG BIO provides custom synthesis services for 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-oxo-6-propyl-4H-chromen-7-yl 3,4,5-trimethoxybenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.