Phenyl beta-chloropropionate
TL;DR: Phenyl beta-chloropropionate (CAS 24552-27-0) is a chemical compound with molecular formula C9H9ClO2 and molecular weight 184.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
phenyl 3-chloropropanoate
Also Known As: Phenyl 3-chloropropanoate, Phenyl 3-Chloropropionate, 3-Chloropropionic Acid Phenyl Ester, Phenyl beta-chloropropionate, Phenyl-3-chloropropanoate
| Molecular Formula | C9H9ClO2 |
|---|---|
| Molecular Weight | 184.03 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 184.02911 |
| Heavy Atoms | 12 |
| Complexity | 141.0 |
Chemical Identifiers
| CAS Number | 24552-27-0 |
|---|---|
| SMILES | C1=CC=C(C=C1)OC(=O)CCCl |
| InChIKey | RAFRTSDUWORDLA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Phenyl beta-chloropropionate (CAS 24552-27-0), with molecular formula C9H9ClO2 and molecular weight 184.03 g/mol. IUPAC: phenyl 3-chloropropanoate.
Chemical Property Profile of Phenyl beta-chloropropionate
Property Insights of Phenyl beta-chloropropionate
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Phenyl beta-chloropropionate. With a topological polar surface area (TPSA) of 26.3 Ų, Phenyl beta-chloropropionate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Phenyl beta-chloropropionate 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 Phenyl beta-chloropropionate?
The CAS number of Phenyl beta-chloropropionate is 24552-27-0.
What is the molecular formula of Phenyl beta-chloropropionate?
The molecular formula of Phenyl beta-chloropropionate is C9H9ClO2.
What is the molecular weight of Phenyl beta-chloropropionate?
The molecular weight of Phenyl beta-chloropropionate is 184.03 g/mol.
Where can I buy Phenyl beta-chloropropionate?
You can request a quote for Phenyl beta-chloropropionate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phenyl beta-chloropropionate?
Yes, KEHONG BIO provides custom synthesis services for Phenyl beta-chloropropionate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.