2-(Chloromethyl)phenethyl acetate
TL;DR: 2-(Chloromethyl)phenethyl acetate (CAS 100126-78-1) is a chemical compound with molecular formula C11H13ClO2 and molecular weight 212.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-(chloromethyl)phenyl]ethyl acetate
Also Known As: 2-(chloromethyl)phenethyl acetate, 2-[2-(chloromethyl)phenyl]ethyl acetate, 2-(2-chloromethylphenyl)-ethanol acetate
| Molecular Formula | C11H13ClO2 |
|---|---|
| Molecular Weight | 212.06 g/mol |
| LogP | 2.531 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 212.06041 |
| Heavy Atoms | 14 |
| Complexity | 309.91077 |
Chemical Identifiers
| CAS Number | 100126-78-1 |
|---|---|
| SMILES | CC(=O)OCCC1=CC=CC=C1CCl |
Product Overview
2-(Chloromethyl)phenethyl acetate (CAS 100126-78-1), with molecular formula C11H13ClO2 and molecular weight 212.06 g/mol. IUPAC: 2-[2-(chloromethyl)phenyl]ethyl acetate.
Chemical Property Profile of 2-(Chloromethyl)phenethyl acetate
Property Insights of 2-(Chloromethyl)phenethyl acetate
The XLogP value of 2.531 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(Chloromethyl)phenethyl acetate. With a topological polar surface area (TPSA) of 26.3 Ų, 2-(Chloromethyl)phenethyl acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(Chloromethyl)phenethyl acetate 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-(Chloromethyl)phenethyl acetate?
The CAS number of 2-(Chloromethyl)phenethyl acetate is 100126-78-1.
What is the molecular formula of 2-(Chloromethyl)phenethyl acetate?
The molecular formula of 2-(Chloromethyl)phenethyl acetate is C11H13ClO2.
What is the molecular weight of 2-(Chloromethyl)phenethyl acetate?
The molecular weight of 2-(Chloromethyl)phenethyl acetate is 212.06 g/mol.
Where can I buy 2-(Chloromethyl)phenethyl acetate?
You can request a quote for 2-(Chloromethyl)phenethyl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(Chloromethyl)phenethyl acetate?
Yes, KEHONG BIO provides custom synthesis services for 2-(Chloromethyl)phenethyl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.