1,3-Benzodioxole, 5-(1-methylethoxy)-
TL;DR: 1,3-Benzodioxole, 5-(1-methylethoxy)- (CAS 107828-11-5) 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-propan-2-yloxy-1,3-benzodioxole
Also Known As: 1,3-Benzodioxole, 5-(1-methylethoxy)-, 5-(1-Methylethoxy)-1,3-benzodioxole, 5-propan-2-yloxy-1,3-benzodioxole, 5-Isopropoxybenzo[d][1,3]dioxole, 5-(propan-2-yloxy)-2H-1,3-benzodioxole
| Molecular Formula | C10H12O3 |
|---|---|
| Molecular Weight | 180.08 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 27.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 180.07864 |
| Heavy Atoms | 13 |
| Complexity | 170.0 |
Chemical Identifiers
| CAS Number | 107828-11-5 |
|---|---|
| SMILES | CC(C)OC1=CC2=C(C=C1)OCO2 |
| InChIKey | IGCWRGWKLIFTDM-UHFFFAOYSA-N |
Product Overview
1,3-Benzodioxole, 5-(1-methylethoxy)- (CAS 107828-11-5), with molecular formula C10H12O3 and molecular weight 180.08 g/mol. IUPAC: 5-propan-2-yloxy-1,3-benzodioxole.
Chemical Property Profile of 1,3-Benzodioxole, 5-(1-methylethoxy)-
Property Insights of 1,3-Benzodioxole, 5-(1-methylethoxy)-
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Benzodioxole, 5-(1-methylethoxy)-. With a topological polar surface area (TPSA) of 27.7 Ų, 1,3-Benzodioxole, 5-(1-methylethoxy)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-Benzodioxole, 5-(1-methylethoxy)- 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-(1-methylethoxy)-?
The CAS number of 1,3-Benzodioxole, 5-(1-methylethoxy)- is 107828-11-5.
What is the molecular formula of 1,3-Benzodioxole, 5-(1-methylethoxy)-?
The molecular formula of 1,3-Benzodioxole, 5-(1-methylethoxy)- is C10H12O3.
What is the molecular weight of 1,3-Benzodioxole, 5-(1-methylethoxy)-?
The molecular weight of 1,3-Benzodioxole, 5-(1-methylethoxy)- is 180.08 g/mol.
Where can I buy 1,3-Benzodioxole, 5-(1-methylethoxy)-?
You can request a quote for 1,3-Benzodioxole, 5-(1-methylethoxy)- 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-(1-methylethoxy)-?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Benzodioxole, 5-(1-methylethoxy)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.