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Methyl 3'-methyl-[1,1'-biphenyl]-2-carboxylate
TL;DR: Methyl 3'-methyl-[1,1'-biphenyl]-2-carboxylate (CAS 116668-80-5) is a chemical compound with molecular formula C15H14O2 and molecular weight 226.09938 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 2-(3-methylphenyl)benzoate
Also Known As: Methyl 3'-methyl-[1,1'-biphenyl]-2-carboxylate, Methyl 2-(3-methylphenyl)benzoate, Methyl 3'-methyl[1,1'-biphenyl]-2-carboxylate, AMTDA185, methyl 2-(m-tolyl)benzoate
Technical Specifications
| Molecular Formula | C15H14O2 |
| Molecular Weight | 226.09938 g/mol |
| XLogP | 4.4 |
| Topological Polar Surface Area (TPSA) | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 226.09938 Da |
| Heavy Atoms | 17 |
| Complexity | 262.0 |
| SMILES | CC1=CC(=CC=C1)C2=CC=CC=C2C(=O)OC |
| InChIKey | YMUQYFXJUZSCOQ-UHFFFAOYSA-N |
Chemical Property Profile of Methyl 3'-methyl-[1,1'-biphenyl]-2-carboxylate
Property Insights of Methyl 3'-methyl-[1,1'-biphenyl]-2-carboxylate
The XLogP value of 4.4 indicates that Methyl 3'-methyl-[1,1'-biphenyl]-2-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Methyl 3'-methyl-[1,1'-biphenyl]-2-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 3'-methyl-[1,1'-biphenyl]-2-carboxylate has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Methyl 3'-methyl-[1,1'-biphenyl]-2-carboxylate?
The CAS number of Methyl 3'-methyl-[1,1'-biphenyl]-2-carboxylate is 116668-80-5.
What is the molecular formula of Methyl 3'-methyl-[1,1'-biphenyl]-2-carboxylate?
The molecular formula of Methyl 3'-methyl-[1,1'-biphenyl]-2-carboxylate is C15H14O2.
What is the molecular weight of Methyl 3'-methyl-[1,1'-biphenyl]-2-carboxylate?
The molecular weight of Methyl 3'-methyl-[1,1'-biphenyl]-2-carboxylate is 226.09938 g/mol.
Where can I buy Methyl 3'-methyl-[1,1'-biphenyl]-2-carboxylate?
You can request a quote for Methyl 3'-methyl-[1,1'-biphenyl]-2-carboxylate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Methyl 3'-methyl-[1,1'-biphenyl]-2-carboxylate?
Yes, CoreyChem provides custom synthesis services for Methyl 3'-methyl-[1,1'-biphenyl]-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.