4-Benzyl-1,2-dimethylbenzene
TL;DR: 4-Benzyl-1,2-dimethylbenzene (CAS 13540-56-2) is a chemical compound with molecular formula C15H16 and molecular weight 196.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-benzyl-1,2-dimethylbenzene
Also Known As: 4-Benzyl-o-xylene, 4-Benzyl-1,2-dimethylbenzene, Phenyl 3,4-xylylmethane, Methane, phenyl-3,4-xylyl-, 1-Benzyl-3,4-dimethylbenzene
| Molecular Formula | C15H16 |
|---|---|
| Molecular Weight | 196.13 g/mol |
| LogP | 4.6 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 2 |
| Exact Mass | 196.1252 |
| Heavy Atoms | 15 |
| Complexity | 178.0 |
Chemical Identifiers
| CAS Number | 13540-56-2 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)CC2=CC=CC=C2)C |
| InChIKey | IWSSFULMLQTJFO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Benzyl-1,2-dimethylbenzene (CAS 13540-56-2), with molecular formula C15H16 and molecular weight 196.13 g/mol. IUPAC: 4-benzyl-1,2-dimethylbenzene.
Chemical Property Profile of 4-Benzyl-1,2-dimethylbenzene
Property Insights of 4-Benzyl-1,2-dimethylbenzene
The XLogP value of 4.6 indicates that 4-Benzyl-1,2-dimethylbenzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 4-Benzyl-1,2-dimethylbenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Benzyl-1,2-dimethylbenzene 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 4-Benzyl-1,2-dimethylbenzene?
The CAS number of 4-Benzyl-1,2-dimethylbenzene is 13540-56-2.
What is the molecular formula of 4-Benzyl-1,2-dimethylbenzene?
The molecular formula of 4-Benzyl-1,2-dimethylbenzene is C15H16.
What is the molecular weight of 4-Benzyl-1,2-dimethylbenzene?
The molecular weight of 4-Benzyl-1,2-dimethylbenzene is 196.13 g/mol.
Where can I buy 4-Benzyl-1,2-dimethylbenzene?
You can request a quote for 4-Benzyl-1,2-dimethylbenzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Benzyl-1,2-dimethylbenzene?
Yes, KEHONG BIO provides custom synthesis services for 4-Benzyl-1,2-dimethylbenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.