3-Benzyltoluene
TL;DR: 3-Benzyltoluene (CAS 620-47-3) 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-3-methylbenzene
Also Known As: 1-Benzyl-3-methylbenzene, 3-Benzyltoluene, m-benzyltoluene, 3-Methyldiphenylmethane, 3-benyl toluol
| Molecular Formula | C14H14 |
|---|---|
| Molecular Weight | 182.11 g/mol |
| LogP | 4.2 |
| 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 |
Chemical Identifiers
| CAS Number | 620-47-3 |
|---|---|
| SMILES | CC1=CC(=CC=C1)CC2=CC=CC=C2 |
| InChIKey | KSYQGOYOIKQFNA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 11 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Benzyltoluene (CAS 620-47-3), with molecular formula C14H14 and molecular weight 182.11 g/mol. IUPAC: 1-benzyl-3-methylbenzene.
Chemical Property Profile of 3-Benzyltoluene
Property Insights of 3-Benzyltoluene
The XLogP value of 4.2 indicates that 3-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, 3-Benzyltoluene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-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 3-Benzyltoluene?
The CAS number of 3-Benzyltoluene is 620-47-3.
What is the molecular formula of 3-Benzyltoluene?
The molecular formula of 3-Benzyltoluene is C14H14.
What is the molecular weight of 3-Benzyltoluene?
The molecular weight of 3-Benzyltoluene is 182.11 g/mol.
Where can I buy 3-Benzyltoluene?
You can request a quote for 3-Benzyltoluene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Benzyltoluene?
Yes, KEHONG BIO provides custom synthesis services for 3-Benzyltoluene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.