Toluene, p-(4-bromobutoxy)-
TL;DR: Toluene, p-(4-bromobutoxy)- (CAS 3257-49-6) is a chemical compound with molecular formula C11H15BrO and molecular weight 242.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-bromobutoxy)-4-methylbenzene
Also Known As: 1-(4-bromobutoxy)-4-methylbenzene, Toluene, p-(4-bromobutoxy)-, 4-Methylphenoxybutylbromide, 4-bromo-butyl 4-tolyl ether, 1- -4-METHYLBENZENE
| Molecular Formula | C11H15BrO |
|---|---|
| Molecular Weight | 242.03 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 9.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 5 |
| Exact Mass | 242.03062 |
| Heavy Atoms | 13 |
| Complexity | 119.0 |
Chemical Identifiers
| CAS Number | 3257-49-6 |
|---|---|
| SMILES | CC1=CC=C(C=C1)OCCCCBr |
| InChIKey | WKFSNKTYOQGTBN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Toluene, p-(4-bromobutoxy)- (CAS 3257-49-6), with molecular formula C11H15BrO and molecular weight 242.03 g/mol. IUPAC: 1-(4-bromobutoxy)-4-methylbenzene.
Chemical Property Profile of Toluene, p-(4-bromobutoxy)-
Property Insights of Toluene, p-(4-bromobutoxy)-
The XLogP value of 3.7 indicates that Toluene, p-(4-bromobutoxy)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 9.2 Ų, Toluene, p-(4-bromobutoxy)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Toluene, p-(4-bromobutoxy)- 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 Toluene, p-(4-bromobutoxy)-?
The CAS number of Toluene, p-(4-bromobutoxy)- is 3257-49-6.
What is the molecular formula of Toluene, p-(4-bromobutoxy)-?
The molecular formula of Toluene, p-(4-bromobutoxy)- is C11H15BrO.
What is the molecular weight of Toluene, p-(4-bromobutoxy)-?
The molecular weight of Toluene, p-(4-bromobutoxy)- is 242.03 g/mol.
Where can I buy Toluene, p-(4-bromobutoxy)-?
You can request a quote for Toluene, p-(4-bromobutoxy)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Toluene, p-(4-bromobutoxy)-?
Yes, KEHONG BIO provides custom synthesis services for Toluene, p-(4-bromobutoxy)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.