2,5-Dimethylphenyl benzoate
TL;DR: 2,5-Dimethylphenyl benzoate (CAS 1807-99-4) 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.
(2,5-dimethylphenyl) benzoate
Also Known As: 2,5-dimethylphenyl benzoate, p-xylene benzoate, (2,5-dimethylphenyl) benzoate, 2,5-Dimethylphenylbenzoat, Phenol, 2,5-dimethyl-,1-benzoate
| Molecular Formula | C15H14O2 |
|---|---|
| Molecular Weight | 226.10 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 226.09938 |
| Heavy Atoms | 17 |
| Complexity | 256.0 |
Chemical Identifiers
| CAS Number | 1807-99-4 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)C)OC(=O)C2=CC=CC=C2 |
| InChIKey | KMDCMSZWEZKBGK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,5-Dimethylphenyl benzoate (CAS 1807-99-4), with molecular formula C15H14O2 and molecular weight 226.10 g/mol. IUPAC: (2,5-dimethylphenyl) benzoate.
Chemical Property Profile of 2,5-Dimethylphenyl benzoate
Property Insights of 2,5-Dimethylphenyl benzoate
The XLogP value of 3.9 indicates that 2,5-Dimethylphenyl benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, 2,5-Dimethylphenyl benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,5-Dimethylphenyl benzoate 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 2,5-Dimethylphenyl benzoate?
The CAS number of 2,5-Dimethylphenyl benzoate is 1807-99-4.
What is the molecular formula of 2,5-Dimethylphenyl benzoate?
The molecular formula of 2,5-Dimethylphenyl benzoate is C15H14O2.
What is the molecular weight of 2,5-Dimethylphenyl benzoate?
The molecular weight of 2,5-Dimethylphenyl benzoate is 226.10 g/mol.
Where can I buy 2,5-Dimethylphenyl benzoate?
You can request a quote for 2,5-Dimethylphenyl benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,5-Dimethylphenyl benzoate?
Yes, KEHONG BIO provides custom synthesis services for 2,5-Dimethylphenyl benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.