4-Methylbiphenyl
TL;DR: 4-Methylbiphenyl (CAS 644-08-6) 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-4-phenylbenzene
Also Known As: 4-Methylbiphenyl, 4-Phenyltoluene, 4-METHYL-1,1'-BIPHENYL, p-Methylbiphenyl, p-Phenyltoluene
| Molecular Formula | C13H12 |
|---|---|
| Molecular Weight | 168.09 g/mol |
| LogP | 4.6 |
| 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 | 136.0 |
| Melting Point | 49 - 50 °C |
| Boiling Point | 267.00 to 268.00 °C. @ 760.00 mm Hg |
| Solubility | 0.00405 mg/mL at 25 °C |
| Vapor Pressure | 0.00642 [mmHg] |
Chemical Identifiers
| CAS Number | 644-08-6 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C2=CC=CC=C2 |
| InChIKey | ZZLCFHIKESPLTH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 20 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Methylbiphenyl (CAS 644-08-6), with molecular formula C13H12 and molecular weight 168.09 g/mol. IUPAC: 1-methyl-4-phenylbenzene.
Chemical Property Profile of 4-Methylbiphenyl
Property Insights of 4-Methylbiphenyl
The XLogP value of 4.6 indicates that 4-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, 4-Methylbiphenyl exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-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 4-Methylbiphenyl?
The CAS number of 4-Methylbiphenyl is 644-08-6.
What is the molecular formula of 4-Methylbiphenyl?
The molecular formula of 4-Methylbiphenyl is C13H12.
What is the molecular weight of 4-Methylbiphenyl?
The molecular weight of 4-Methylbiphenyl is 168.09 g/mol.
Where can I buy 4-Methylbiphenyl?
You can request a quote for 4-Methylbiphenyl directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Methylbiphenyl?
Yes, KEHONG BIO provides custom synthesis services for 4-Methylbiphenyl and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.