Methanone, (3-methoxyphenyl)(6-methyl-1,3-benzodioxol-5-yl)-
TL;DR: Methanone, (3-methoxyphenyl)(6-methyl-1,3-benzodioxol-5-yl)- (CAS 52806-40-3) is a chemical compound with molecular formula C16H14O4 and molecular weight 270.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-methoxyphenyl)-(6-methyl-1,3-benzodioxol-5-yl)methanone
Also Known As: 5-(3-methoxybenzoyl)-6-methyl-2H-1,3-benzodioxole, 3-Methoxyphenyl (6-methyl-1,3-benzodioxol-5-yl) ketone, 3-Methoxyphenyl(6-methyl-1,3-benzodioxol-5-yl) ketone, Methanone, (3-methoxyphenyl)(6-methyl-1,3-benzodioxol-5-yl)-, (3-Methoxyphenyl)(6-methyl-1,3-benzodioxol-5-yl)methanone
| Molecular Formula | C16H14O4 |
|---|---|
| Molecular Weight | 270.09 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 44.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 270.0892 |
| Heavy Atoms | 20 |
| Complexity | 356.0 |
Chemical Identifiers
| CAS Number | 52806-40-3 |
|---|---|
| SMILES | CC1=CC2=C(C=C1C(=O)C3=CC(=CC=C3)OC)OCO2 |
| InChIKey | GLYYCAFWLZTTAG-UHFFFAOYSA-N |
Product Overview
Methanone, (3-methoxyphenyl)(6-methyl-1,3-benzodioxol-5-yl)- (CAS 52806-40-3), with molecular formula C16H14O4 and molecular weight 270.09 g/mol. IUPAC: (3-methoxyphenyl)-(6-methyl-1,3-benzodioxol-5-yl)methanone.
Chemical Property Profile of Methanone, (3-methoxyphenyl)(6-methyl-1,3-benzodioxol-5-yl)-
Property Insights of Methanone, (3-methoxyphenyl)(6-methyl-1,3-benzodioxol-5-yl)-
The XLogP value of 3.4 indicates that Methanone, (3-methoxyphenyl)(6-methyl-1,3-benzodioxol-5-yl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 44.8 Ų, Methanone, (3-methoxyphenyl)(6-methyl-1,3-benzodioxol-5-yl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methanone, (3-methoxyphenyl)(6-methyl-1,3-benzodioxol-5-yl)- 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 Methanone, (3-methoxyphenyl)(6-methyl-1,3-benzodioxol-5-yl)-?
The CAS number of Methanone, (3-methoxyphenyl)(6-methyl-1,3-benzodioxol-5-yl)- is 52806-40-3.
What is the molecular formula of Methanone, (3-methoxyphenyl)(6-methyl-1,3-benzodioxol-5-yl)-?
The molecular formula of Methanone, (3-methoxyphenyl)(6-methyl-1,3-benzodioxol-5-yl)- is C16H14O4.
What is the molecular weight of Methanone, (3-methoxyphenyl)(6-methyl-1,3-benzodioxol-5-yl)-?
The molecular weight of Methanone, (3-methoxyphenyl)(6-methyl-1,3-benzodioxol-5-yl)- is 270.09 g/mol.
Where can I buy Methanone, (3-methoxyphenyl)(6-methyl-1,3-benzodioxol-5-yl)-?
You can request a quote for Methanone, (3-methoxyphenyl)(6-methyl-1,3-benzodioxol-5-yl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methanone, (3-methoxyphenyl)(6-methyl-1,3-benzodioxol-5-yl)-?
Yes, KEHONG BIO provides custom synthesis services for Methanone, (3-methoxyphenyl)(6-methyl-1,3-benzodioxol-5-yl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.