![5-[2-Bromo-1-(3-methylbutoxy)propyl]-1,3-benzodioxole structure](/static/products/901/90134-00-2.png)
5-[2-Bromo-1-(3-methylbutoxy)propyl]-1,3-benzodioxole
TL;DR: 5-[2-Bromo-1-(3-methylbutoxy)propyl]-1,3-benzodioxole (CAS 90134-00-2) is a chemical compound with molecular formula C15H21BrO3 and molecular weight 328.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[2-bromo-1-(3-methylbutoxy)propyl]-1,3-benzodioxole
Also Known As: 5-[2-bromo-1- propyl]benzo[1,3]dioxole, 5-[2-bromo-1-(3-methylbutoxy)propyl]-1,3-benzodioxole, 1,3-Benzodioxole,5-[2-bromo-1-(3-methylbutoxy)propyl]-, 5-[2-BROMO-1-(3-METHYLBUTOXY)PROPYL]-2H-1,3-BENZODIOXOLE, 5-[2-BROMO-1-(3-METHYLBUTOXY)PROPYL]BENZO[1,3]DIOXOLE
| Molecular Formula | C15H21BrO3 |
|---|---|
| Molecular Weight | 328.07 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 27.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 328.0674 |
| Heavy Atoms | 19 |
| Complexity | 272.0 |
Chemical Identifiers
| CAS Number | 90134-00-2 |
|---|---|
| SMILES | CC(C)CCOC(C1=CC2=C(C=C1)OCO2)C(C)Br |
| InChIKey | NQZQKOPOYAVWRM-UHFFFAOYSA-N |
Product Overview
5-[2-Bromo-1-(3-methylbutoxy)propyl]-1,3-benzodioxole (CAS 90134-00-2), with molecular formula C15H21BrO3 and molecular weight 328.07 g/mol. IUPAC: 5-[2-bromo-1-(3-methylbutoxy)propyl]-1,3-benzodioxole.
Chemical Property Profile of 5-[2-Bromo-1-(3-methylbutoxy)propyl]-1,3-benzodioxole
Property Insights of 5-[2-Bromo-1-(3-methylbutoxy)propyl]-1,3-benzodioxole
The XLogP value of 4.3 indicates that 5-[2-Bromo-1-(3-methylbutoxy)propyl]-1,3-benzodioxole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 27.7 Ų, 5-[2-Bromo-1-(3-methylbutoxy)propyl]-1,3-benzodioxole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-[2-Bromo-1-(3-methylbutoxy)propyl]-1,3-benzodioxole 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 5-[2-Bromo-1-(3-methylbutoxy)propyl]-1,3-benzodioxole?
The CAS number of 5-[2-Bromo-1-(3-methylbutoxy)propyl]-1,3-benzodioxole is 90134-00-2.
What is the molecular formula of 5-[2-Bromo-1-(3-methylbutoxy)propyl]-1,3-benzodioxole?
The molecular formula of 5-[2-Bromo-1-(3-methylbutoxy)propyl]-1,3-benzodioxole is C15H21BrO3.
What is the molecular weight of 5-[2-Bromo-1-(3-methylbutoxy)propyl]-1,3-benzodioxole?
The molecular weight of 5-[2-Bromo-1-(3-methylbutoxy)propyl]-1,3-benzodioxole is 328.07 g/mol.
Where can I buy 5-[2-Bromo-1-(3-methylbutoxy)propyl]-1,3-benzodioxole?
You can request a quote for 5-[2-Bromo-1-(3-methylbutoxy)propyl]-1,3-benzodioxole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-[2-Bromo-1-(3-methylbutoxy)propyl]-1,3-benzodioxole?
Yes, KEHONG BIO provides custom synthesis services for 5-[2-Bromo-1-(3-methylbutoxy)propyl]-1,3-benzodioxole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.