Propyl 2,3-dichloropropanoate
TL;DR: Propyl 2,3-dichloropropanoate (CAS 89876-46-0) is a chemical compound with molecular formula C6H10Cl2O2 and molecular weight 184.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propyl 2,3-dichloropropanoate
Also Known As: Propyl 2,3-dichloropropanoate, 2,3-dichloro-propionic acid propyl ester, Propanoic acid, 2,3-dichloro-, propyl ester
| Molecular Formula | C6H10Cl2O2 |
|---|---|
| Molecular Weight | 184.01 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 184.00578 |
| Heavy Atoms | 10 |
| Complexity | 106.0 |
Chemical Identifiers
| CAS Number | 89876-46-0 |
|---|---|
| SMILES | CCCOC(=O)C(CCl)Cl |
| InChIKey | SKMKHNCZGUBBKX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Propyl 2,3-dichloropropanoate (CAS 89876-46-0), with molecular formula C6H10Cl2O2 and molecular weight 184.01 g/mol. IUPAC: propyl 2,3-dichloropropanoate.
Chemical Property Profile of Propyl 2,3-dichloropropanoate
Property Insights of Propyl 2,3-dichloropropanoate
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Propyl 2,3-dichloropropanoate. With a topological polar surface area (TPSA) of 26.3 Ų, Propyl 2,3-dichloropropanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Propyl 2,3-dichloropropanoate 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 Propyl 2,3-dichloropropanoate?
The CAS number of Propyl 2,3-dichloropropanoate is 89876-46-0.
What is the molecular formula of Propyl 2,3-dichloropropanoate?
The molecular formula of Propyl 2,3-dichloropropanoate is C6H10Cl2O2.
What is the molecular weight of Propyl 2,3-dichloropropanoate?
The molecular weight of Propyl 2,3-dichloropropanoate is 184.01 g/mol.
Where can I buy Propyl 2,3-dichloropropanoate?
You can request a quote for Propyl 2,3-dichloropropanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Propyl 2,3-dichloropropanoate?
Yes, KEHONG BIO provides custom synthesis services for Propyl 2,3-dichloropropanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.