1,3-Benzodioxole, 5-propoxy-
TL;DR: 1,3-Benzodioxole, 5-propoxy- (CAS 87590-42-9) is a chemical compound with molecular formula C10H12O3 and molecular weight 180.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-propoxy-1,3-benzodioxole
Also Known As: 1,3-Benzodioxole, 5-propoxy-, 5-propoxy-1,3-benzodioxole, 5-propoxy-benzo[1,3]dioxole, 5-PROPOXY-2H-1,3-BENZODIOXOLE
| Molecular Formula | C10H12O3 |
|---|---|
| Molecular Weight | 180.08 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 27.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 180.07864 |
| Heavy Atoms | 13 |
| Complexity | 160.0 |
Chemical Identifiers
| CAS Number | 87590-42-9 |
|---|---|
| SMILES | CCCOC1=CC2=C(C=C1)OCO2 |
| InChIKey | WEZFPHYHXDVBGQ-UHFFFAOYSA-N |
Product Overview
1,3-Benzodioxole, 5-propoxy- (CAS 87590-42-9), with molecular formula C10H12O3 and molecular weight 180.08 g/mol. IUPAC: 5-propoxy-1,3-benzodioxole.
Chemical Property Profile of 1,3-Benzodioxole, 5-propoxy-
Property Insights of 1,3-Benzodioxole, 5-propoxy-
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Benzodioxole, 5-propoxy-. With a topological polar surface area (TPSA) of 27.7 Ų, 1,3-Benzodioxole, 5-propoxy- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-Benzodioxole, 5-propoxy- has 0 hydrogen bond donor(s) and 3 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, 5-propoxy-?
The CAS number of 1,3-Benzodioxole, 5-propoxy- is 87590-42-9.
What is the molecular formula of 1,3-Benzodioxole, 5-propoxy-?
The molecular formula of 1,3-Benzodioxole, 5-propoxy- is C10H12O3.
What is the molecular weight of 1,3-Benzodioxole, 5-propoxy-?
The molecular weight of 1,3-Benzodioxole, 5-propoxy- is 180.08 g/mol.
Where can I buy 1,3-Benzodioxole, 5-propoxy-?
You can request a quote for 1,3-Benzodioxole, 5-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, 5-propoxy-?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Benzodioxole, 5-propoxy- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.