![1-[2-Bromo-4,5-(methylenedioxy)phenyl]-4,4-dimethyl-1-penten-3-OL structure](/static/products/5834/58344-97-1.webp)
1-[2-Bromo-4,5-(methylenedioxy)phenyl]-4,4-dimethyl-1-penten-3-OL
TL;DR: 1-[2-Bromo-4,5-(methylenedioxy)phenyl]-4,4-dimethyl-1-penten-3-OL (CAS 58344-97-1) is a chemical compound with molecular formula C14H17BrO3 and molecular weight 312.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(6-bromo-1,3-benzodioxol-5-yl)-4,4-dimethylpent-1-en-3-ol
Also Known As: 1-[2-Bromo-4,5-(methylenedioxy)phenyl]-4,4-dimethyl-1-penten-3-ol, 1-[2-BROMO-4,5-(METHYLENEDIOXY)PHENYL ]-4,4-DIMETHYL-1-PENTEN-3-OL
| Molecular Formula | C14H17BrO3 |
|---|---|
| Molecular Weight | 312.04 g/mol |
| LogP | 3.598 |
| Topological Polar Surface Area | 38.69 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 312.0361 |
| Heavy Atoms | 18 |
| Complexity | 474.66284 |
Chemical Identifiers
| CAS Number | 58344-97-1 |
|---|---|
| SMILES | CC(C)(C)C(C=CC1=CC2=C(C=C1Br)OCO2)O |
Product Overview
1-[2-Bromo-4,5-(methylenedioxy)phenyl]-4,4-dimethyl-1-penten-3-OL (CAS 58344-97-1), with molecular formula C14H17BrO3 and molecular weight 312.04 g/mol. IUPAC: 1-(6-bromo-1,3-benzodioxol-5-yl)-4,4-dimethylpent-1-en-3-ol.
Chemical Property Profile of 1-[2-Bromo-4,5-(methylenedioxy)phenyl]-4,4-dimethyl-1-penten-3-OL
Property Insights of 1-[2-Bromo-4,5-(methylenedioxy)phenyl]-4,4-dimethyl-1-penten-3-OL
The XLogP value of 3.598 indicates that 1-[2-Bromo-4,5-(methylenedioxy)phenyl]-4,4-dimethyl-1-penten-3-OL is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.69 Ų, 1-[2-Bromo-4,5-(methylenedioxy)phenyl]-4,4-dimethyl-1-penten-3-OL exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-[2-Bromo-4,5-(methylenedioxy)phenyl]-4,4-dimethyl-1-penten-3-OL has 1 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-[2-Bromo-4,5-(methylenedioxy)phenyl]-4,4-dimethyl-1-penten-3-OL?
The CAS number of 1-[2-Bromo-4,5-(methylenedioxy)phenyl]-4,4-dimethyl-1-penten-3-OL is 58344-97-1.
What is the molecular formula of 1-[2-Bromo-4,5-(methylenedioxy)phenyl]-4,4-dimethyl-1-penten-3-OL?
The molecular formula of 1-[2-Bromo-4,5-(methylenedioxy)phenyl]-4,4-dimethyl-1-penten-3-OL is C14H17BrO3.
What is the molecular weight of 1-[2-Bromo-4,5-(methylenedioxy)phenyl]-4,4-dimethyl-1-penten-3-OL?
The molecular weight of 1-[2-Bromo-4,5-(methylenedioxy)phenyl]-4,4-dimethyl-1-penten-3-OL is 312.04 g/mol.
Where can I buy 1-[2-Bromo-4,5-(methylenedioxy)phenyl]-4,4-dimethyl-1-penten-3-OL?
You can request a quote for 1-[2-Bromo-4,5-(methylenedioxy)phenyl]-4,4-dimethyl-1-penten-3-OL directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-[2-Bromo-4,5-(methylenedioxy)phenyl]-4,4-dimethyl-1-penten-3-OL?
Yes, KEHONG BIO provides custom synthesis services for 1-[2-Bromo-4,5-(methylenedioxy)phenyl]-4,4-dimethyl-1-penten-3-OL and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.