1,3-Benzodioxole, 4,5-dimethoxy-6-propoxy-
TL;DR: 1,3-Benzodioxole, 4,5-dimethoxy-6-propoxy- (CAS 96573-27-2) is a chemical compound with molecular formula C12H16O5 and molecular weight 240.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,5-dimethoxy-6-propoxy-1,3-benzodioxole
Also Known As: 1,3-benzodioxole, 4,5-dimethoxy-6-propoxy-, 4,5-dimethoxy-6-propoxy-1,3-benzodioxole, 4,5-Dimethoxy-6-propoxy-2H-1,3-benzodioxole
| Molecular Formula | C12H16O5 |
|---|---|
| Molecular Weight | 240.10 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 46.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 240.09978 |
| Heavy Atoms | 17 |
| Complexity | 235.0 |
Chemical Identifiers
| CAS Number | 96573-27-2 |
|---|---|
| SMILES | CCCOC1=C(C(=C2C(=C1)OCO2)OC)OC |
| InChIKey | RQSKVIBQOSPHOE-UHFFFAOYSA-N |
Product Overview
1,3-Benzodioxole, 4,5-dimethoxy-6-propoxy- (CAS 96573-27-2), with molecular formula C12H16O5 and molecular weight 240.10 g/mol. IUPAC: 4,5-dimethoxy-6-propoxy-1,3-benzodioxole.
Chemical Property Profile of 1,3-Benzodioxole, 4,5-dimethoxy-6-propoxy-
Property Insights of 1,3-Benzodioxole, 4,5-dimethoxy-6-propoxy-
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Benzodioxole, 4,5-dimethoxy-6-propoxy-. With a topological polar surface area (TPSA) of 46.2 Ų, 1,3-Benzodioxole, 4,5-dimethoxy-6-propoxy- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-Benzodioxole, 4,5-dimethoxy-6-propoxy- 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 1,3-Benzodioxole, 4,5-dimethoxy-6-propoxy-?
The CAS number of 1,3-Benzodioxole, 4,5-dimethoxy-6-propoxy- is 96573-27-2.
What is the molecular formula of 1,3-Benzodioxole, 4,5-dimethoxy-6-propoxy-?
The molecular formula of 1,3-Benzodioxole, 4,5-dimethoxy-6-propoxy- is C12H16O5.
What is the molecular weight of 1,3-Benzodioxole, 4,5-dimethoxy-6-propoxy-?
The molecular weight of 1,3-Benzodioxole, 4,5-dimethoxy-6-propoxy- is 240.10 g/mol.
Where can I buy 1,3-Benzodioxole, 4,5-dimethoxy-6-propoxy-?
You can request a quote for 1,3-Benzodioxole, 4,5-dimethoxy-6-propoxy- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Benzodioxole, 4,5-dimethoxy-6-propoxy-?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Benzodioxole, 4,5-dimethoxy-6-propoxy- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.