3-Methylbiphenyl
TL;DR: 3-Methylbiphenyl (CAS 643-93-6) is a chemical compound with molecular formula C13H12 and molecular weight 168.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-methyl-3-phenylbenzene
Also Known As: 3-Methylbiphenyl, 3-Phenyltoluene, 1-methyl-3-phenylbenzene, 3-Methyl-1,1'biphenyl, m-Phenyltoluene
| Molecular Formula | C13H12 |
|---|---|
| Molecular Weight | 168.09 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 1 |
| Exact Mass | 168.0939 |
| Heavy Atoms | 13 |
| Complexity | 144.0 |
| Vapor Pressure | 0.00796 [mmHg] |
Chemical Identifiers
| CAS Number | 643-93-6 |
|---|---|
| SMILES | CC1=CC(=CC=C1)C2=CC=CC=C2 |
| InChIKey | NPDIDUXTRAITDE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 17 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Methylbiphenyl (CAS 643-93-6), with molecular formula C13H12 and molecular weight 168.09 g/mol. IUPAC: 1-methyl-3-phenylbenzene.
Chemical Property Profile of 3-Methylbiphenyl
Property Insights of 3-Methylbiphenyl
The XLogP value of 3.9 indicates that 3-Methylbiphenyl 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-Methylbiphenyl exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Methylbiphenyl 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-Methylbiphenyl?
The CAS number of 3-Methylbiphenyl is 643-93-6.
What is the molecular formula of 3-Methylbiphenyl?
The molecular formula of 3-Methylbiphenyl is C13H12.
What is the molecular weight of 3-Methylbiphenyl?
The molecular weight of 3-Methylbiphenyl is 168.09 g/mol.
Where can I buy 3-Methylbiphenyl?
You can request a quote for 3-Methylbiphenyl directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Methylbiphenyl?
Yes, KEHONG BIO provides custom synthesis services for 3-Methylbiphenyl and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.