Benzene, 2-butoxy-1,3-dimethyl-
TL;DR: Benzene, 2-butoxy-1,3-dimethyl- (CAS 56052-33-6) 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.
2-butoxy-1,3-dimethylbenzene
Also Known As: 2-Butoxy-1,3-dimethylbenzene, 1,3-Dimethyl-2-butoxybenzene, Benzene, 2-butoxy-1,3-dimethyl-, 2-Butoxy-1,3-dimethylbenzene #
| Molecular Formula | C12H18O |
|---|---|
| Molecular Weight | 178.14 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 9.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 178.13577 |
| Heavy Atoms | 13 |
| Complexity | 123.0 |
Chemical Identifiers
| CAS Number | 56052-33-6 |
|---|---|
| SMILES | CCCCOC1=C(C=CC=C1C)C |
| InChIKey | IWKOUBZMAKVMFW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzene, 2-butoxy-1,3-dimethyl- (CAS 56052-33-6), with molecular formula C12H18O and molecular weight 178.14 g/mol. IUPAC: 2-butoxy-1,3-dimethylbenzene.
Chemical Property Profile of Benzene, 2-butoxy-1,3-dimethyl-
Property Insights of Benzene, 2-butoxy-1,3-dimethyl-
The XLogP value of 4.3 indicates that Benzene, 2-butoxy-1,3-dimethyl- 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, 2-butoxy-1,3-dimethyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzene, 2-butoxy-1,3-dimethyl- 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, 2-butoxy-1,3-dimethyl-?
The CAS number of Benzene, 2-butoxy-1,3-dimethyl- is 56052-33-6.
What is the molecular formula of Benzene, 2-butoxy-1,3-dimethyl-?
The molecular formula of Benzene, 2-butoxy-1,3-dimethyl- is C12H18O.
What is the molecular weight of Benzene, 2-butoxy-1,3-dimethyl-?
The molecular weight of Benzene, 2-butoxy-1,3-dimethyl- is 178.14 g/mol.
Where can I buy Benzene, 2-butoxy-1,3-dimethyl-?
You can request a quote for Benzene, 2-butoxy-1,3-dimethyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzene, 2-butoxy-1,3-dimethyl-?
Yes, KEHONG BIO provides custom synthesis services for Benzene, 2-butoxy-1,3-dimethyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.