![2-(1,3-benzodioxol-5-ylmethylene)-6-methoxybenzo[de]chromen-3(2H)-one structure](/static/products/164/164027-23-0.png)
2-(1,3-benzodioxol-5-ylmethylene)-6-methoxybenzo[de]chromen-3(2H)-one
TL;DR: 2-(1,3-benzodioxol-5-ylmethylene)-6-methoxybenzo[de]chromen-3(2H)-one (CAS 164027-23-0) is a chemical compound with molecular formula C21H14O5 and molecular weight 346.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3Z)-3-(1,3-benzodioxol-5-ylmethylidene)-8-methoxy-2-oxatricyclo[7.3.1.05,13]trideca-1(12),5(13),6,8,10-pentaen-4-one
Also Known As: IDI1_020563, 2-(1,3-benzodioxol-5-ylmethylene)-6-methoxybenzo[de]chromen-3(2H)-one, (2Z)-2-(1,3-benzodioxol-5-ylmethylidene)-6-methoxybenzo[de]chromen-3(2H)-one, (Z)-2-(benzo[d][1,3]dioxol-5-ylmethylene)-6-methoxybenzo[de]chromen-3(2H)-one, 2-[(Z)-1-(1,3-BENZODIOXOL-5-YL)METHYLIDENE]-6-METHOXYBENZO[DE]CHROMEN-3-ONE
| Molecular Formula | C21H14O5 |
|---|---|
| Molecular Weight | 346.08 g/mol |
| LogP | 3.2312 |
| Topological Polar Surface Area | 57.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 346.08414 |
| Heavy Atoms | 26 |
| Complexity | 1269.2795 |
Chemical Identifiers
| CAS Number | 164027-23-0 |
|---|---|
| SMILES | COC1=C2C=CC=C3C2=C(C=C1)C(=O)/C(=C/C4=CC5=C(C=C4)OCO5)/O3 |
Product Overview
2-(1,3-benzodioxol-5-ylmethylene)-6-methoxybenzo[de]chromen-3(2H)-one (CAS 164027-23-0), with molecular formula C21H14O5 and molecular weight 346.08 g/mol. IUPAC: (3Z)-3-(1,3-benzodioxol-5-ylmethylidene)-8-methoxy-2-oxatricyclo[7.3.1.05,13]trideca-1(12),5(13),6,8,10-pentaen-4-one.
Chemical Property Profile of 2-(1,3-benzodioxol-5-ylmethylene)-6-methoxybenzo[de]chromen-3(2H)-one
Property Insights of 2-(1,3-benzodioxol-5-ylmethylene)-6-methoxybenzo[de]chromen-3(2H)-one
The XLogP value of 3.2312 indicates that 2-(1,3-benzodioxol-5-ylmethylene)-6-methoxybenzo[de]chromen-3(2H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.9 Ų, 2-(1,3-benzodioxol-5-ylmethylene)-6-methoxybenzo[de]chromen-3(2H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(1,3-benzodioxol-5-ylmethylene)-6-methoxybenzo[de]chromen-3(2H)-one 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 2-(1,3-benzodioxol-5-ylmethylene)-6-methoxybenzo[de]chromen-3(2H)-one?
The CAS number of 2-(1,3-benzodioxol-5-ylmethylene)-6-methoxybenzo[de]chromen-3(2H)-one is 164027-23-0.
What is the molecular formula of 2-(1,3-benzodioxol-5-ylmethylene)-6-methoxybenzo[de]chromen-3(2H)-one?
The molecular formula of 2-(1,3-benzodioxol-5-ylmethylene)-6-methoxybenzo[de]chromen-3(2H)-one is C21H14O5.
What is the molecular weight of 2-(1,3-benzodioxol-5-ylmethylene)-6-methoxybenzo[de]chromen-3(2H)-one?
The molecular weight of 2-(1,3-benzodioxol-5-ylmethylene)-6-methoxybenzo[de]chromen-3(2H)-one is 346.08 g/mol.
Where can I buy 2-(1,3-benzodioxol-5-ylmethylene)-6-methoxybenzo[de]chromen-3(2H)-one?
You can request a quote for 2-(1,3-benzodioxol-5-ylmethylene)-6-methoxybenzo[de]chromen-3(2H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(1,3-benzodioxol-5-ylmethylene)-6-methoxybenzo[de]chromen-3(2H)-one?
Yes, KEHONG BIO provides custom synthesis services for 2-(1,3-benzodioxol-5-ylmethylene)-6-methoxybenzo[de]chromen-3(2H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.