Chloropropylate
TL;DR: Chloropropylate (CAS 5836-10-2) is a chemical compound with molecular formula C17H16Cl2O3 and molecular weight 338.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propan-2-yl 2,2-bis(4-chlorophenyl)-2-hydroxyacetate
Also Known As: CHLOROPROPYLATE, Chlorpropylate, Rospine, Chlorpropylat, Acaralate
| Molecular Formula | C17H16Cl2O3 |
|---|---|
| Molecular Weight | 338.05 g/mol |
| LogP | 4.7 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 338.04764 |
| Heavy Atoms | 22 |
| Complexity | 348.0 |
| Melting Point | 73 °C |
| Boiling Point | 148-150 °C @ 0.5 mm Hg |
| Density | 1.36 g/cu cm @ 20 °C |
| Solubility | At 20 °C: 700 g/L acetone, dichloromethane; 50 g/L hexane; 300 g/L methanol; 130 g/L n-octanol; 500 g/L toluene |
| Vapor Pressure | 0.00000018 [mmHg] |
Chemical Identifiers
| CAS Number | 5836-10-2 |
|---|---|
| SMILES | CC(C)OC(=O)C(C1=CC=C(C=C1)Cl)(C2=CC=C(C=C2)Cl)O |
| InChIKey | AXGUBXVWZBFQGA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 11 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Chloropropylate (CAS 5836-10-2), with molecular formula C17H16Cl2O3 and molecular weight 338.05 g/mol. IUPAC: propan-2-yl 2,2-bis(4-chlorophenyl)-2-hydroxyacetate.
Chemical Property Profile of Chloropropylate
Property Insights of Chloropropylate
The XLogP value of 4.7 indicates that Chloropropylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.5 Ų, Chloropropylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Chloropropylate has 1 hydrogen bond donor(s) and 3 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 Chloropropylate?
The CAS number of Chloropropylate is 5836-10-2.
What is the molecular formula of Chloropropylate?
The molecular formula of Chloropropylate is C17H16Cl2O3.
What is the molecular weight of Chloropropylate?
The molecular weight of Chloropropylate is 338.05 g/mol.
Where can I buy Chloropropylate?
You can request a quote for Chloropropylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Chloropropylate?
Yes, KEHONG BIO provides custom synthesis services for Chloropropylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.