Phenethyl 2-chloropropanoate
TL;DR: Phenethyl 2-chloropropanoate (CAS 3736-59-2) 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-phenylethyl 2-chloropropanoate
Also Known As: phenethyl 2-chloropropanoate, 2-phenylethyl 2-chloropropanoate, 2-Chloropropanoic acid phenethyl ester, J3.615.484E
| Molecular Formula | C11H13ClO2 |
|---|---|
| Molecular Weight | 212.06 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 212.06041 |
| Heavy Atoms | 14 |
| Complexity | 176.0 |
Chemical Identifiers
| CAS Number | 3736-59-2 |
|---|---|
| SMILES | CC(C(=O)OCCC1=CC=CC=C1)Cl |
| InChIKey | VUWUBXYOZDGBLF-UHFFFAOYSA-N |
Product Overview
Phenethyl 2-chloropropanoate (CAS 3736-59-2), with molecular formula C11H13ClO2 and molecular weight 212.06 g/mol. IUPAC: 2-phenylethyl 2-chloropropanoate.
Chemical Property Profile of Phenethyl 2-chloropropanoate
Property Insights of Phenethyl 2-chloropropanoate
The XLogP value of 3.3 indicates that Phenethyl 2-chloropropanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Phenethyl 2-chloropropanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Phenethyl 2-chloropropanoate 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 Phenethyl 2-chloropropanoate?
The CAS number of Phenethyl 2-chloropropanoate is 3736-59-2.
What is the molecular formula of Phenethyl 2-chloropropanoate?
The molecular formula of Phenethyl 2-chloropropanoate is C11H13ClO2.
What is the molecular weight of Phenethyl 2-chloropropanoate?
The molecular weight of Phenethyl 2-chloropropanoate is 212.06 g/mol.
Where can I buy Phenethyl 2-chloropropanoate?
You can request a quote for Phenethyl 2-chloropropanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phenethyl 2-chloropropanoate?
Yes, KEHONG BIO provides custom synthesis services for Phenethyl 2-chloropropanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.