Benzene, 1-butyl-3-methoxy-
TL;DR: Benzene, 1-butyl-3-methoxy- (CAS 20893-43-0) is a chemical compound with molecular formula C11H16O and molecular weight 164.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-butyl-3-methoxybenzene
Also Known As: 1-butyl-3-methoxybenzene, 3-butylanisole, 3-Butyl-anisol, Benzene, 1-butyl-3-methoxy-, Benzene,1-butyl-3-methoxy-
| Molecular Formula | C11H16O |
|---|---|
| Molecular Weight | 164.12 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 9.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 164.12012 |
| Heavy Atoms | 12 |
| Complexity | 112.0 |
Chemical Identifiers
| CAS Number | 20893-43-0 |
|---|---|
| SMILES | CCCCC1=CC(=CC=C1)OC |
| InChIKey | MBSSCIJIRKKVFU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzene, 1-butyl-3-methoxy- (CAS 20893-43-0), with molecular formula C11H16O and molecular weight 164.12 g/mol. IUPAC: 1-butyl-3-methoxybenzene.
Chemical Property Profile of Benzene, 1-butyl-3-methoxy-
Property Insights of Benzene, 1-butyl-3-methoxy-
The XLogP value of 3.6 indicates that Benzene, 1-butyl-3-methoxy- 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-butyl-3-methoxy- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzene, 1-butyl-3-methoxy- 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-butyl-3-methoxy-?
The CAS number of Benzene, 1-butyl-3-methoxy- is 20893-43-0.
What is the molecular formula of Benzene, 1-butyl-3-methoxy-?
The molecular formula of Benzene, 1-butyl-3-methoxy- is C11H16O.
What is the molecular weight of Benzene, 1-butyl-3-methoxy-?
The molecular weight of Benzene, 1-butyl-3-methoxy- is 164.12 g/mol.
Where can I buy Benzene, 1-butyl-3-methoxy-?
You can request a quote for Benzene, 1-butyl-3-methoxy- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzene, 1-butyl-3-methoxy-?
Yes, KEHONG BIO provides custom synthesis services for Benzene, 1-butyl-3-methoxy- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.