Benzene, (1-butoxyethyl)-
TL;DR: Benzene, (1-butoxyethyl)- (CAS 4157-77-1) is a chemical compound with molecular formula C12H18O and molecular weight 178.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-butoxyethylbenzene
Also Known As: 1-butoxyethylbenzene, Benzene, (1-butoxyethyl)-, Benzene,(1-butoxyethyl), 1-(1-butoxyethyl)benzene, (1-BUTOXYETHYL)BENZENE
| Molecular Formula | C12H18O |
|---|---|
| Molecular Weight | 178.14 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 9.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 5 |
| Exact Mass | 178.13577 |
| Heavy Atoms | 13 |
| Complexity | 116.0 |
Chemical Identifiers
| CAS Number | 4157-77-1 |
|---|---|
| SMILES | CCCCOC(C)C1=CC=CC=C1 |
| InChIKey | AQGPVCBVZAHVBN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzene, (1-butoxyethyl)- (CAS 4157-77-1), with molecular formula C12H18O and molecular weight 178.14 g/mol. IUPAC: 1-butoxyethylbenzene.
Chemical Property Profile of Benzene, (1-butoxyethyl)-
Property Insights of Benzene, (1-butoxyethyl)-
The XLogP value of 3.2 indicates that Benzene, (1-butoxyethyl)- 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, (1-butoxyethyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzene, (1-butoxyethyl)- 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, (1-butoxyethyl)-?
The CAS number of Benzene, (1-butoxyethyl)- is 4157-77-1.
What is the molecular formula of Benzene, (1-butoxyethyl)-?
The molecular formula of Benzene, (1-butoxyethyl)- is C12H18O.
What is the molecular weight of Benzene, (1-butoxyethyl)-?
The molecular weight of Benzene, (1-butoxyethyl)- is 178.14 g/mol.
Where can I buy Benzene, (1-butoxyethyl)-?
You can request a quote for Benzene, (1-butoxyethyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzene, (1-butoxyethyl)-?
Yes, KEHONG BIO provides custom synthesis services for Benzene, (1-butoxyethyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.