![2-[2-(Chloromethyl)phenyl]ethyl benzoate structure](/static/products/1684/168476-58-2.webp)
2-[2-(Chloromethyl)phenyl]ethyl benzoate
TL;DR: 2-[2-(Chloromethyl)phenyl]ethyl benzoate (CAS 168476-58-2) is a chemical compound with molecular formula C16H15ClO2 and molecular weight 274.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-(chloromethyl)phenyl]ethyl benzoate
Also Known As: 2-[2-(chloromethyl)phenyl]ethyl benzoate, 2-(chloromethyl)phenethyl benzoate, Benzeneethanol, 2-(chloroMethyl)-, 1-benzoate, 2-(chloromethyl)phenethylbenzoate, J3.514.490K
| Molecular Formula | C16H15ClO2 |
|---|---|
| Molecular Weight | 274.08 g/mol |
| LogP | 3.8249 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 274.07605 |
| Heavy Atoms | 19 |
| Complexity | 537.455 |
Chemical Identifiers
| CAS Number | 168476-58-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)OCCC2=CC=CC=C2CCl |
Product Overview
2-[2-(Chloromethyl)phenyl]ethyl benzoate (CAS 168476-58-2), with molecular formula C16H15ClO2 and molecular weight 274.08 g/mol. IUPAC: 2-[2-(chloromethyl)phenyl]ethyl benzoate.
Chemical Property Profile of 2-[2-(Chloromethyl)phenyl]ethyl benzoate
Property Insights of 2-[2-(Chloromethyl)phenyl]ethyl benzoate
The XLogP value of 3.8249 indicates that 2-[2-(Chloromethyl)phenyl]ethyl 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-[2-(Chloromethyl)phenyl]ethyl benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-[2-(Chloromethyl)phenyl]ethyl 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-[2-(Chloromethyl)phenyl]ethyl benzoate?
The CAS number of 2-[2-(Chloromethyl)phenyl]ethyl benzoate is 168476-58-2.
What is the molecular formula of 2-[2-(Chloromethyl)phenyl]ethyl benzoate?
The molecular formula of 2-[2-(Chloromethyl)phenyl]ethyl benzoate is C16H15ClO2.
What is the molecular weight of 2-[2-(Chloromethyl)phenyl]ethyl benzoate?
The molecular weight of 2-[2-(Chloromethyl)phenyl]ethyl benzoate is 274.08 g/mol.
Where can I buy 2-[2-(Chloromethyl)phenyl]ethyl benzoate?
You can request a quote for 2-[2-(Chloromethyl)phenyl]ethyl benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[2-(Chloromethyl)phenyl]ethyl benzoate?
Yes, KEHONG BIO provides custom synthesis services for 2-[2-(Chloromethyl)phenyl]ethyl benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.