Benzene, 1,3-dimethoxy-4-butyl
TL;DR: Benzene, 1,3-dimethoxy-4-butyl (CAS 54459-33-5) is a chemical compound with molecular formula C12H18O2 and molecular weight 194.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-butyl-2,4-dimethoxybenzene
Also Known As: Benzene, 1,3-dimethoxy-4-butyl, 1-butyl-2,4-dimethoxybenzene, Benzene, 1-butyl-2,4-dimethoxy-
| Molecular Formula | C12H18O2 |
|---|---|
| Molecular Weight | 194.13 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 18.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 194.13068 |
| Heavy Atoms | 14 |
| Complexity | 147.0 |
Chemical Identifiers
| CAS Number | 54459-33-5 |
|---|---|
| SMILES | CCCCC1=C(C=C(C=C1)OC)OC |
| InChIKey | ABWZWFPWDXRRFS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzene, 1,3-dimethoxy-4-butyl (CAS 54459-33-5), with molecular formula C12H18O2 and molecular weight 194.13 g/mol. IUPAC: 1-butyl-2,4-dimethoxybenzene.
Chemical Property Profile of Benzene, 1,3-dimethoxy-4-butyl
Property Insights of Benzene, 1,3-dimethoxy-4-butyl
The XLogP value of 3.9 indicates that Benzene, 1,3-dimethoxy-4-butyl is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 18.5 Ų, Benzene, 1,3-dimethoxy-4-butyl exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzene, 1,3-dimethoxy-4-butyl has 0 hydrogen bond donor(s) and 2 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, 1,3-dimethoxy-4-butyl?
The CAS number of Benzene, 1,3-dimethoxy-4-butyl is 54459-33-5.
What is the molecular formula of Benzene, 1,3-dimethoxy-4-butyl?
The molecular formula of Benzene, 1,3-dimethoxy-4-butyl is C12H18O2.
What is the molecular weight of Benzene, 1,3-dimethoxy-4-butyl?
The molecular weight of Benzene, 1,3-dimethoxy-4-butyl is 194.13 g/mol.
Where can I buy Benzene, 1,3-dimethoxy-4-butyl?
You can request a quote for Benzene, 1,3-dimethoxy-4-butyl directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzene, 1,3-dimethoxy-4-butyl?
Yes, KEHONG BIO provides custom synthesis services for Benzene, 1,3-dimethoxy-4-butyl and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.