1-Butyl-4-methylbenzene
TL;DR: 1-Butyl-4-methylbenzene (CAS 1595-05-7) is a chemical compound with molecular formula C11H16 and molecular weight 148.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-butyl-4-methylbenzene
Also Known As: 1-butyl-4-methylbenzene, 4-N-butyltoluene, p-Butyltoluene, Benzene, 1-butyl-4-methyl-, 4-Butyltoluene
| Molecular Formula | C11H16 |
|---|---|
| Molecular Weight | 148.13 g/mol |
| LogP | 4.7 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 3 |
| Exact Mass | 148.1252 |
| Heavy Atoms | 11 |
| Complexity | 88.0 |
Chemical Identifiers
| CAS Number | 1595-05-7 |
|---|---|
| SMILES | CCCCC1=CC=C(C=C1)C |
| InChIKey | SBBKUBSYOVDBBC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 18 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Butyl-4-methylbenzene (CAS 1595-05-7), with molecular formula C11H16 and molecular weight 148.13 g/mol. IUPAC: 1-butyl-4-methylbenzene.
Chemical Property Profile of 1-Butyl-4-methylbenzene
Property Insights of 1-Butyl-4-methylbenzene
The XLogP value of 4.7 indicates that 1-Butyl-4-methylbenzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 1-Butyl-4-methylbenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Butyl-4-methylbenzene 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 1-Butyl-4-methylbenzene?
The CAS number of 1-Butyl-4-methylbenzene is 1595-05-7.
What is the molecular formula of 1-Butyl-4-methylbenzene?
The molecular formula of 1-Butyl-4-methylbenzene is C11H16.
What is the molecular weight of 1-Butyl-4-methylbenzene?
The molecular weight of 1-Butyl-4-methylbenzene is 148.13 g/mol.
Where can I buy 1-Butyl-4-methylbenzene?
You can request a quote for 1-Butyl-4-methylbenzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Butyl-4-methylbenzene?
Yes, KEHONG BIO provides custom synthesis services for 1-Butyl-4-methylbenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.