![1-[4-[(5-Bromopentyl)oxy]-2-hydroxyphenyl]ethan-1-one structure](/static/products/4078/40785-72-6.webp)
1-[4-[(5-Bromopentyl)oxy]-2-hydroxyphenyl]ethan-1-one
TL;DR: 1-[4-[(5-Bromopentyl)oxy]-2-hydroxyphenyl]ethan-1-one (CAS 40785-72-6) is a chemical compound with molecular formula C13H17BrO3 and molecular weight 300.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[4-(5-bromopentoxy)-2-hydroxyphenyl]ethanone
Also Known As: 1-[4-[(5-bromopentyl)oxy]-2-hydroxyphenyl]ethan-1-one, 1-[4-(5-bromopentoxy)-2-hydroxyphenyl]ethanone, 1-{4-[(5-bromopentyl)oxy]-2-hydroxyphenyl}ethan-1-one, 1-{4-[(5-bromopentyl)oxy]-2-hydroxyphenyl}ethanone, Ethanone,1-[4-[(5-bromopentyl)oxy]-2-hydroxyphenyl]-
| Molecular Formula | C13H17BrO3 |
|---|---|
| Molecular Weight | 300.04 g/mol |
| LogP | 3.5388 |
| Topological Polar Surface Area | 46.53 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 300.0361 |
| Heavy Atoms | 17 |
| Complexity | 376.92737 |
Chemical Identifiers
| CAS Number | 40785-72-6 |
|---|---|
| SMILES | CC(=O)C1=C(C=C(C=C1)OCCCCCBr)O |
Product Overview
1-[4-[(5-Bromopentyl)oxy]-2-hydroxyphenyl]ethan-1-one (CAS 40785-72-6), with molecular formula C13H17BrO3 and molecular weight 300.04 g/mol. IUPAC: 1-[4-(5-bromopentoxy)-2-hydroxyphenyl]ethanone.
Chemical Property Profile of 1-[4-[(5-Bromopentyl)oxy]-2-hydroxyphenyl]ethan-1-one
Property Insights of 1-[4-[(5-Bromopentyl)oxy]-2-hydroxyphenyl]ethan-1-one
The XLogP value of 3.5388 indicates that 1-[4-[(5-Bromopentyl)oxy]-2-hydroxyphenyl]ethan-1-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.53 Ų, 1-[4-[(5-Bromopentyl)oxy]-2-hydroxyphenyl]ethan-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-[4-[(5-Bromopentyl)oxy]-2-hydroxyphenyl]ethan-1-one 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-[4-[(5-Bromopentyl)oxy]-2-hydroxyphenyl]ethan-1-one?
The CAS number of 1-[4-[(5-Bromopentyl)oxy]-2-hydroxyphenyl]ethan-1-one is 40785-72-6.
What is the molecular formula of 1-[4-[(5-Bromopentyl)oxy]-2-hydroxyphenyl]ethan-1-one?
The molecular formula of 1-[4-[(5-Bromopentyl)oxy]-2-hydroxyphenyl]ethan-1-one is C13H17BrO3.
What is the molecular weight of 1-[4-[(5-Bromopentyl)oxy]-2-hydroxyphenyl]ethan-1-one?
The molecular weight of 1-[4-[(5-Bromopentyl)oxy]-2-hydroxyphenyl]ethan-1-one is 300.04 g/mol.
Where can I buy 1-[4-[(5-Bromopentyl)oxy]-2-hydroxyphenyl]ethan-1-one?
You can request a quote for 1-[4-[(5-Bromopentyl)oxy]-2-hydroxyphenyl]ethan-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-[4-[(5-Bromopentyl)oxy]-2-hydroxyphenyl]ethan-1-one?
Yes, KEHONG BIO provides custom synthesis services for 1-[4-[(5-Bromopentyl)oxy]-2-hydroxyphenyl]ethan-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.