6-Phenoxyhexyl bromide
TL;DR: 6-Phenoxyhexyl bromide (CAS 51745-97-2) is a chemical compound with molecular formula C12H17BrO and molecular weight 256.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-bromohexoxybenzene
Also Known As: 6-Phenoxyhexyl bromide, ((6-Bromohexyl)oxy)benzene, 6-bromohexoxybenzene, 1-Bromo-6-phenoxyhexane, [(6-Bromohexyl)oxy]benzene
| Molecular Formula | C12H17BrO |
|---|---|
| Molecular Weight | 256.05 g/mol |
| LogP | 4.5 |
| Topological Polar Surface Area | 9.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 7 |
| Exact Mass | 256.0463 |
| Heavy Atoms | 14 |
| Complexity | 121.0 |
Chemical Identifiers
| CAS Number | 51745-97-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)OCCCCCCBr |
| InChIKey | QOLSAZPSEJXYSH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
6-Phenoxyhexyl bromide (CAS 51745-97-2), with molecular formula C12H17BrO and molecular weight 256.05 g/mol. IUPAC: 6-bromohexoxybenzene.
Chemical Property Profile of 6-Phenoxyhexyl bromide
Property Insights of 6-Phenoxyhexyl bromide
The XLogP value of 4.5 indicates that 6-Phenoxyhexyl bromide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 9.2 Ų, 6-Phenoxyhexyl bromide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-Phenoxyhexyl bromide has 0 hydrogen bond donor(s) and 1 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 6-Phenoxyhexyl bromide?
The CAS number of 6-Phenoxyhexyl bromide is 51745-97-2.
What is the molecular formula of 6-Phenoxyhexyl bromide?
The molecular formula of 6-Phenoxyhexyl bromide is C12H17BrO.
What is the molecular weight of 6-Phenoxyhexyl bromide?
The molecular weight of 6-Phenoxyhexyl bromide is 256.05 g/mol.
Where can I buy 6-Phenoxyhexyl bromide?
You can request a quote for 6-Phenoxyhexyl bromide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-Phenoxyhexyl bromide?
Yes, KEHONG BIO provides custom synthesis services for 6-Phenoxyhexyl bromide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.