2-Benzyltoluene
TL;DR: 2-Benzyltoluene (CAS 713-36-0) is a chemical compound with molecular formula C14H14 and molecular weight 182.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-benzyl-2-methylbenzene
Also Known As: 2-Benzyltoluene, 2-Methyldiphenylmethane, o-Benzyltoluene, Benzyltoluene, 1-Benzyl-2-methylbenzene
| Molecular Formula | C14H14 |
|---|---|
| Molecular Weight | 182.11 g/mol |
| LogP | 4.7 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 2 |
| Exact Mass | 182.10954 |
| Heavy Atoms | 14 |
| Complexity | 155.0 |
| Vapor Pressure | 0.003 [mmHg] |
Chemical Identifiers
| CAS Number | 713-36-0 |
|---|---|
| SMILES | CC1=CC=CC=C1CC2=CC=CC=C2 |
| InChIKey | PQTAUFTUHHRKSS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 19 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Benzyltoluene (CAS 713-36-0), with molecular formula C14H14 and molecular weight 182.11 g/mol. IUPAC: 1-benzyl-2-methylbenzene.
Chemical Property Profile of 2-Benzyltoluene
Property Insights of 2-Benzyltoluene
The XLogP value of 4.7 indicates that 2-Benzyltoluene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 2-Benzyltoluene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Benzyltoluene 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 2-Benzyltoluene?
The CAS number of 2-Benzyltoluene is 713-36-0.
What is the molecular formula of 2-Benzyltoluene?
The molecular formula of 2-Benzyltoluene is C14H14.
What is the molecular weight of 2-Benzyltoluene?
The molecular weight of 2-Benzyltoluene is 182.11 g/mol.
Where can I buy 2-Benzyltoluene?
You can request a quote for 2-Benzyltoluene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Benzyltoluene?
Yes, KEHONG BIO provides custom synthesis services for 2-Benzyltoluene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.