Benzene, butyl-1,3-dimethyl-
TL;DR: Benzene, butyl-1,3-dimethyl- (CAS 1601-72-5) is a chemical compound with molecular formula C12H18 and molecular weight 162.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-butyl-1,3-dimethylbenzene
Also Known As: butyl-m-xylol, 2-butyl-m-xylene, 2-butyl-1,3-dimethylbenzene, Benzene, butyl-1,3-dimethyl-, Benzene,butyl-1,3-dimethyl
| Molecular Formula | C12H18 |
|---|---|
| Molecular Weight | 162.14 g/mol |
| LogP | 4.5 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 3 |
| Exact Mass | 162.14085 |
| Heavy Atoms | 12 |
| Complexity | 107.0 |
Chemical Identifiers
| CAS Number | 1601-72-5 |
|---|---|
| SMILES | CCCCC1=C(C=CC=C1C)C |
| InChIKey | UDKAJPALXFAKKO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzene, butyl-1,3-dimethyl- (CAS 1601-72-5), with molecular formula C12H18 and molecular weight 162.14 g/mol. IUPAC: 2-butyl-1,3-dimethylbenzene.
Chemical Property Profile of Benzene, butyl-1,3-dimethyl-
Property Insights of Benzene, butyl-1,3-dimethyl-
The XLogP value of 4.5 indicates that Benzene, butyl-1,3-dimethyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, Benzene, butyl-1,3-dimethyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzene, butyl-1,3-dimethyl- has 0 hydrogen bond donor(s) and 0 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, butyl-1,3-dimethyl-?
The CAS number of Benzene, butyl-1,3-dimethyl- is 1601-72-5.
What is the molecular formula of Benzene, butyl-1,3-dimethyl-?
The molecular formula of Benzene, butyl-1,3-dimethyl- is C12H18.
What is the molecular weight of Benzene, butyl-1,3-dimethyl-?
The molecular weight of Benzene, butyl-1,3-dimethyl- is 162.14 g/mol.
Where can I buy Benzene, butyl-1,3-dimethyl-?
You can request a quote for Benzene, butyl-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, butyl-1,3-dimethyl-?
Yes, KEHONG BIO provides custom synthesis services for Benzene, butyl-1,3-dimethyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.