1-(2-Bromoethoxy)-4-butylbenzene
TL;DR: 1-(2-Bromoethoxy)-4-butylbenzene (CAS 37425-83-5) 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.
1-(2-bromoethoxy)-4-butylbenzene
Also Known As: 1-(2-bromoethoxy)-4-butylbenzene, C(CCC)c1ccc(OCCBr)cc1, Methacrylsaeure-phenaethylamid, 1-(2-bromoethoxy)-4-butyl-benzene, 2,5-Dichloro-N-(1-(2-methyl-1-propenyl)-2-pyrrolidinylidene)benzenamine
| 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 | 6 |
| Exact Mass | 256.0463 |
| Heavy Atoms | 14 |
| Complexity | 130.0 |
Chemical Identifiers
| CAS Number | 37425-83-5 |
|---|---|
| SMILES | CCCCC1=CC=C(C=C1)OCCBr |
| InChIKey | KTTXTHGVBRJKBU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-(2-Bromoethoxy)-4-butylbenzene (CAS 37425-83-5), with molecular formula C12H17BrO and molecular weight 256.05 g/mol. IUPAC: 1-(2-bromoethoxy)-4-butylbenzene.
Chemical Property Profile of 1-(2-Bromoethoxy)-4-butylbenzene
Property Insights of 1-(2-Bromoethoxy)-4-butylbenzene
The XLogP value of 4.5 indicates that 1-(2-Bromoethoxy)-4-butylbenzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 9.2 Ų, 1-(2-Bromoethoxy)-4-butylbenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(2-Bromoethoxy)-4-butylbenzene 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 1-(2-Bromoethoxy)-4-butylbenzene?
The CAS number of 1-(2-Bromoethoxy)-4-butylbenzene is 37425-83-5.
What is the molecular formula of 1-(2-Bromoethoxy)-4-butylbenzene?
The molecular formula of 1-(2-Bromoethoxy)-4-butylbenzene is C12H17BrO.
What is the molecular weight of 1-(2-Bromoethoxy)-4-butylbenzene?
The molecular weight of 1-(2-Bromoethoxy)-4-butylbenzene is 256.05 g/mol.
Where can I buy 1-(2-Bromoethoxy)-4-butylbenzene?
You can request a quote for 1-(2-Bromoethoxy)-4-butylbenzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(2-Bromoethoxy)-4-butylbenzene?
Yes, KEHONG BIO provides custom synthesis services for 1-(2-Bromoethoxy)-4-butylbenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.