Phenyl3,4-dimethylbenzoate
TL;DR: Phenyl3,4-dimethylbenzoate (CAS 723256-69-7) is a chemical compound with molecular formula C15H14O2 and molecular weight 226.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
phenyl 3,4-dimethylbenzoate
Also Known As: phenyl3,4-dimethylbenzoate, phenyl 3,4-dimethylbenzoate, AN-652/42476724
| Molecular Formula | C15H14O2 |
|---|---|
| Molecular Weight | 226.10 g/mol |
| LogP | 3.52264 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 226.09938 |
| Heavy Atoms | 17 |
| Complexity | 529.873 |
Chemical Identifiers
| CAS Number | 723256-69-7 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)C(=O)OC2=CC=CC=C2)C |
Product Overview
Phenyl3,4-dimethylbenzoate (CAS 723256-69-7), with molecular formula C15H14O2 and molecular weight 226.10 g/mol. IUPAC: phenyl 3,4-dimethylbenzoate.
Chemical Property Profile of Phenyl3,4-dimethylbenzoate
Property Insights of Phenyl3,4-dimethylbenzoate
The XLogP value of 3.52264 indicates that Phenyl3,4-dimethylbenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Phenyl3,4-dimethylbenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Phenyl3,4-dimethylbenzoate 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
Frequently Asked Questions
What is the CAS number of Phenyl3,4-dimethylbenzoate?
The CAS number of Phenyl3,4-dimethylbenzoate is 723256-69-7.
What is the molecular formula of Phenyl3,4-dimethylbenzoate?
The molecular formula of Phenyl3,4-dimethylbenzoate is C15H14O2.
What is the molecular weight of Phenyl3,4-dimethylbenzoate?
The molecular weight of Phenyl3,4-dimethylbenzoate is 226.10 g/mol.
Where can I buy Phenyl3,4-dimethylbenzoate?
You can request a quote for Phenyl3,4-dimethylbenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phenyl3,4-dimethylbenzoate?
Yes, KEHONG BIO provides custom synthesis services for Phenyl3,4-dimethylbenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.