2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-(2,4-dihydroxy-3-methylphenyl)ethanone
TL;DR: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-(2,4-dihydroxy-3-methylphenyl)ethanone (CAS 202914-40-7) 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.
2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-(2,4-dihydroxy-3-methylphenyl)ethanone
Also Known As: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-(2,4-dihydroxy-3-methylphenyl)ethanone, 2-(3,4-dihydro-2H-benzo[b][1,4]dioxepin-7-yl)-1-(2,4-dihydroxy-3-methylphenyl)ethanone, 2-(2H,3H,4H-benzo[b]1,4-dioxepin-7-yl)-1-(2,4-dihydroxy-3-methylphenyl)ethan-1 -one
| Molecular Formula | C18H18O5 |
|---|---|
| Molecular Weight | 314.12 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 76.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 314.11542 |
| Heavy Atoms | 23 |
| Complexity | 412.0 |
Chemical Identifiers
| CAS Number | 202914-40-7 |
|---|---|
| SMILES | CC1=C(C=CC(=C1O)C(=O)CC2=CC3=C(C=C2)OCCCO3)O |
| InChIKey | ASQVFGVNEMRQOR-UHFFFAOYSA-N |
Product Overview
2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-(2,4-dihydroxy-3-methylphenyl)ethanone (CAS 202914-40-7), with molecular formula C18H18O5 and molecular weight 314.12 g/mol. IUPAC: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-(2,4-dihydroxy-3-methylphenyl)ethanone.
Chemical Property Profile of 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-(2,4-dihydroxy-3-methylphenyl)ethanone
Property Insights of 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-(2,4-dihydroxy-3-methylphenyl)ethanone
The XLogP value of 3.5 indicates that 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-(2,4-dihydroxy-3-methylphenyl)ethanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-(2,4-dihydroxy-3-methylphenyl)ethanone. Following Lipinski's Rule of Five, 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-(2,4-dihydroxy-3-methylphenyl)ethanone has 2 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 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-(2,4-dihydroxy-3-methylphenyl)ethanone?
The CAS number of 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-(2,4-dihydroxy-3-methylphenyl)ethanone is 202914-40-7.
What is the molecular formula of 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-(2,4-dihydroxy-3-methylphenyl)ethanone?
The molecular formula of 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-(2,4-dihydroxy-3-methylphenyl)ethanone is C18H18O5.
What is the molecular weight of 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-(2,4-dihydroxy-3-methylphenyl)ethanone?
The molecular weight of 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-(2,4-dihydroxy-3-methylphenyl)ethanone is 314.12 g/mol.
Where can I buy 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-(2,4-dihydroxy-3-methylphenyl)ethanone?
You can request a quote for 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-(2,4-dihydroxy-3-methylphenyl)ethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-(2,4-dihydroxy-3-methylphenyl)ethanone?
Yes, KEHONG BIO provides custom synthesis services for 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-(2,4-dihydroxy-3-methylphenyl)ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.