![2-[(2H-1,3-Benzodioxol-5-yl)methyl]-5-methoxycyclohexa-2,5-diene-1,4-dione structure](/static/products/7259/72590-26-2.webp)
2-[(2H-1,3-Benzodioxol-5-yl)methyl]-5-methoxycyclohexa-2,5-diene-1,4-dione
TL;DR: 2-[(2H-1,3-Benzodioxol-5-yl)methyl]-5-methoxycyclohexa-2,5-diene-1,4-dione (CAS 72590-26-2) is a chemical compound with molecular formula C15H12O5 and molecular weight 272.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1,3-benzodioxol-5-ylmethyl)-5-methoxycyclohexa-2,5-diene-1,4-dione
Also Known As: OBTUSAQUINONE DERIV JURD 2562, 2-(1,3-benzodioxol-5-ylmethyl)-5-methoxycyclohexa-2,5-diene-, 2-[(2H-1,3-Benzodioxol-5-yl)methyl]-5-methoxycyclohexa-2,5-diene-1,4-dione, 2-(1,3-benzodioxol-5-ylmethyl)-5-methoxycyclohexa-2,5-diene-1,4-dione
| Molecular Formula | C15H12O5 |
|---|---|
| Molecular Weight | 272.07 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 61.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 272.06848 |
| Heavy Atoms | 20 |
| Complexity | 490.0 |
Chemical Identifiers
| CAS Number | 72590-26-2 |
|---|---|
| SMILES | COC1=CC(=O)C(=CC1=O)CC2=CC3=C(C=C2)OCO3 |
| InChIKey | LDRMNMGBSLCCNH-UHFFFAOYSA-N |
Product Overview
2-[(2H-1,3-Benzodioxol-5-yl)methyl]-5-methoxycyclohexa-2,5-diene-1,4-dione (CAS 72590-26-2), with molecular formula C15H12O5 and molecular weight 272.07 g/mol. IUPAC: 2-(1,3-benzodioxol-5-ylmethyl)-5-methoxycyclohexa-2,5-diene-1,4-dione.
Chemical Property Profile of 2-[(2H-1,3-Benzodioxol-5-yl)methyl]-5-methoxycyclohexa-2,5-diene-1,4-dione
Property Insights of 2-[(2H-1,3-Benzodioxol-5-yl)methyl]-5-methoxycyclohexa-2,5-diene-1,4-dione
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[(2H-1,3-Benzodioxol-5-yl)methyl]-5-methoxycyclohexa-2,5-diene-1,4-dione. The TPSA of 61.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[(2H-1,3-Benzodioxol-5-yl)methyl]-5-methoxycyclohexa-2,5-diene-1,4-dione. Following Lipinski's Rule of Five, 2-[(2H-1,3-Benzodioxol-5-yl)methyl]-5-methoxycyclohexa-2,5-diene-1,4-dione 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-[(2H-1,3-Benzodioxol-5-yl)methyl]-5-methoxycyclohexa-2,5-diene-1,4-dione?
The CAS number of 2-[(2H-1,3-Benzodioxol-5-yl)methyl]-5-methoxycyclohexa-2,5-diene-1,4-dione is 72590-26-2.
What is the molecular formula of 2-[(2H-1,3-Benzodioxol-5-yl)methyl]-5-methoxycyclohexa-2,5-diene-1,4-dione?
The molecular formula of 2-[(2H-1,3-Benzodioxol-5-yl)methyl]-5-methoxycyclohexa-2,5-diene-1,4-dione is C15H12O5.
What is the molecular weight of 2-[(2H-1,3-Benzodioxol-5-yl)methyl]-5-methoxycyclohexa-2,5-diene-1,4-dione?
The molecular weight of 2-[(2H-1,3-Benzodioxol-5-yl)methyl]-5-methoxycyclohexa-2,5-diene-1,4-dione is 272.07 g/mol.
Where can I buy 2-[(2H-1,3-Benzodioxol-5-yl)methyl]-5-methoxycyclohexa-2,5-diene-1,4-dione?
You can request a quote for 2-[(2H-1,3-Benzodioxol-5-yl)methyl]-5-methoxycyclohexa-2,5-diene-1,4-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[(2H-1,3-Benzodioxol-5-yl)methyl]-5-methoxycyclohexa-2,5-diene-1,4-dione?
Yes, KEHONG BIO provides custom synthesis services for 2-[(2H-1,3-Benzodioxol-5-yl)methyl]-5-methoxycyclohexa-2,5-diene-1,4-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.