Benzene, (3-bromopropoxy)-
TL;DR: Benzene, (3-bromopropoxy)- (CAS 588-63-6) is a chemical compound with molecular formula C9H11BrO and molecular weight 214.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-bromopropoxybenzene
Also Known As: (3-Bromopropoxy)benzene, 3-Phenoxypropyl bromide, 3-bromopropoxybenzene, 3-Bromopropyl phenyl ether, 1-Bromo-3-phenoxypropane
| Molecular Formula | C9H11BrO |
|---|---|
| Molecular Weight | 214.00 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 9.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 213.99933 |
| Heavy Atoms | 11 |
| Complexity | 89.0 |
Chemical Identifiers
| CAS Number | 588-63-6 |
|---|---|
| SMILES | C1=CC=C(C=C1)OCCCBr |
| InChIKey | NIDWUZTTXGJFNN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 15 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzene, (3-bromopropoxy)- (CAS 588-63-6), with molecular formula C9H11BrO and molecular weight 214.00 g/mol. IUPAC: 3-bromopropoxybenzene.
Chemical Property Profile of Benzene, (3-bromopropoxy)-
Property Insights of Benzene, (3-bromopropoxy)-
The XLogP value of 3.4 indicates that Benzene, (3-bromopropoxy)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 9.2 Ų, Benzene, (3-bromopropoxy)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzene, (3-bromopropoxy)- 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 Benzene, (3-bromopropoxy)-?
The CAS number of Benzene, (3-bromopropoxy)- is 588-63-6.
What is the molecular formula of Benzene, (3-bromopropoxy)-?
The molecular formula of Benzene, (3-bromopropoxy)- is C9H11BrO.
What is the molecular weight of Benzene, (3-bromopropoxy)-?
The molecular weight of Benzene, (3-bromopropoxy)- is 214.00 g/mol.
Where can I buy Benzene, (3-bromopropoxy)-?
You can request a quote for Benzene, (3-bromopropoxy)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzene, (3-bromopropoxy)-?
Yes, KEHONG BIO provides custom synthesis services for Benzene, (3-bromopropoxy)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.