![3,3'-Dimethyl[1,1'-biphenyl]-4-yl 3-methylbenzoate structure](/static/products/301/301209-18-7.png)
3,3'-Dimethyl[1,1'-biphenyl]-4-yl 3-methylbenzoate
TL;DR: 3,3'-Dimethyl[1,1'-biphenyl]-4-yl 3-methylbenzoate (CAS 301209-18-7) is a chemical compound with molecular formula C22H20O2 and molecular weight 316.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-methyl-4-(3-methylphenyl)phenyl] 3-methylbenzoate
Also Known As: BAS 00121029, 3,3'-dimethyl[1,1'-biphenyl]-4-yl 3-methylbenzoate, 2-methyl-4-(3-methylphenyl)phenyl 3-methylbenzoate, [2-methyl-4-(3-methylphenyl)phenyl] 3-methylbenzoate, 3-Methyl-benzoic acid 3,3'-dimethyl-biphenyl-4-yl ester
| Molecular Formula | C22H20O2 |
|---|---|
| Molecular Weight | 316.15 g/mol |
| LogP | 5.49806 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 316.14633 |
| Heavy Atoms | 24 |
| Complexity | 893.9767 |
Chemical Identifiers
| CAS Number | 301209-18-7 |
|---|---|
| SMILES | CC1=CC(=CC=C1)C2=CC(=C(C=C2)OC(=O)C3=CC=CC(=C3)C)C |
Product Overview
3,3'-Dimethyl[1,1'-biphenyl]-4-yl 3-methylbenzoate (CAS 301209-18-7), with molecular formula C22H20O2 and molecular weight 316.15 g/mol. IUPAC: [2-methyl-4-(3-methylphenyl)phenyl] 3-methylbenzoate.
Chemical Property Profile of 3,3'-Dimethyl[1,1'-biphenyl]-4-yl 3-methylbenzoate
Property Insights of 3,3'-Dimethyl[1,1'-biphenyl]-4-yl 3-methylbenzoate
The XLogP value of 5.49806 indicates that 3,3'-Dimethyl[1,1'-biphenyl]-4-yl 3-methylbenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, 3,3'-Dimethyl[1,1'-biphenyl]-4-yl 3-methylbenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,3'-Dimethyl[1,1'-biphenyl]-4-yl 3-methylbenzoate has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3,3'-Dimethyl[1,1'-biphenyl]-4-yl 3-methylbenzoate?
The CAS number of 3,3'-Dimethyl[1,1'-biphenyl]-4-yl 3-methylbenzoate is 301209-18-7.
What is the molecular formula of 3,3'-Dimethyl[1,1'-biphenyl]-4-yl 3-methylbenzoate?
The molecular formula of 3,3'-Dimethyl[1,1'-biphenyl]-4-yl 3-methylbenzoate is C22H20O2.
What is the molecular weight of 3,3'-Dimethyl[1,1'-biphenyl]-4-yl 3-methylbenzoate?
The molecular weight of 3,3'-Dimethyl[1,1'-biphenyl]-4-yl 3-methylbenzoate is 316.15 g/mol.
Where can I buy 3,3'-Dimethyl[1,1'-biphenyl]-4-yl 3-methylbenzoate?
You can request a quote for 3,3'-Dimethyl[1,1'-biphenyl]-4-yl 3-methylbenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,3'-Dimethyl[1,1'-biphenyl]-4-yl 3-methylbenzoate?
Yes, KEHONG BIO provides custom synthesis services for 3,3'-Dimethyl[1,1'-biphenyl]-4-yl 3-methylbenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.