Benzyl 2-chloropropanoate
TL;DR: Benzyl 2-chloropropanoate (CAS 81577-34-6) is a chemical compound with molecular formula C10H11ClO2 and molecular weight 198.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl 2-chloropropanoate
Also Known As: Benzyl 2-chloropropanoate, Benzyl 2-chloropropionate, Phenylmethyl 2-chloropropanoate, Benzyl 2-chloropropanoate #, 2-Chloropropionic acid benzyl ester
| Molecular Formula | C10H11ClO2 |
|---|---|
| Molecular Weight | 198.04 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 198.04475 |
| Heavy Atoms | 13 |
| Complexity | 164.0 |
Chemical Identifiers
| CAS Number | 81577-34-6 |
|---|---|
| SMILES | CC(C(=O)OCC1=CC=CC=C1)Cl |
| InChIKey | JZYXQRUIIAOBOQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzyl 2-chloropropanoate (CAS 81577-34-6), with molecular formula C10H11ClO2 and molecular weight 198.04 g/mol. IUPAC: benzyl 2-chloropropanoate.
Chemical Property Profile of Benzyl 2-chloropropanoate
Property Insights of Benzyl 2-chloropropanoate
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzyl 2-chloropropanoate. With a topological polar surface area (TPSA) of 26.3 Ų, Benzyl 2-chloropropanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzyl 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 Benzyl 2-chloropropanoate?
The CAS number of Benzyl 2-chloropropanoate is 81577-34-6.
What is the molecular formula of Benzyl 2-chloropropanoate?
The molecular formula of Benzyl 2-chloropropanoate is C10H11ClO2.
What is the molecular weight of Benzyl 2-chloropropanoate?
The molecular weight of Benzyl 2-chloropropanoate is 198.04 g/mol.
Where can I buy Benzyl 2-chloropropanoate?
You can request a quote for Benzyl 2-chloropropanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzyl 2-chloropropanoate?
Yes, KEHONG BIO provides custom synthesis services for Benzyl 2-chloropropanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.