1,3-Benzodioxole, 5-(pentyloxy)-
TL;DR: 1,3-Benzodioxole, 5-(pentyloxy)- (CAS 87590-44-1) is a chemical compound with molecular formula C12H16O3 and molecular weight 208.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-pentoxy-1,3-benzodioxole
Also Known As: 1,3-Benzodioxole, 5-(pentyloxy)-, 5-pentoxy-1,3-benzodioxole, 5-(pentyloxy)-2H-1,3-benzodioxole, RefChem:217883
| Molecular Formula | C12H16O3 |
|---|---|
| Molecular Weight | 208.11 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 27.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 208.10994 |
| Heavy Atoms | 15 |
| Complexity | 184.0 |
Chemical Identifiers
| CAS Number | 87590-44-1 |
|---|---|
| SMILES | CCCCCOC1=CC2=C(C=C1)OCO2 |
| InChIKey | USLZJQOOOLKIJF-UHFFFAOYSA-N |
Product Overview
1,3-Benzodioxole, 5-(pentyloxy)- (CAS 87590-44-1), with molecular formula C12H16O3 and molecular weight 208.11 g/mol. IUPAC: 5-pentoxy-1,3-benzodioxole.
Chemical Property Profile of 1,3-Benzodioxole, 5-(pentyloxy)-
Property Insights of 1,3-Benzodioxole, 5-(pentyloxy)-
The XLogP value of 3.4 indicates that 1,3-Benzodioxole, 5-(pentyloxy)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 27.7 Ų, 1,3-Benzodioxole, 5-(pentyloxy)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-Benzodioxole, 5-(pentyloxy)- 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-(pentyloxy)-?
The CAS number of 1,3-Benzodioxole, 5-(pentyloxy)- is 87590-44-1.
What is the molecular formula of 1,3-Benzodioxole, 5-(pentyloxy)-?
The molecular formula of 1,3-Benzodioxole, 5-(pentyloxy)- is C12H16O3.
What is the molecular weight of 1,3-Benzodioxole, 5-(pentyloxy)-?
The molecular weight of 1,3-Benzodioxole, 5-(pentyloxy)- is 208.11 g/mol.
Where can I buy 1,3-Benzodioxole, 5-(pentyloxy)-?
You can request a quote for 1,3-Benzodioxole, 5-(pentyloxy)- 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-(pentyloxy)-?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Benzodioxole, 5-(pentyloxy)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.