Propyl 2-chloropropanoate
TL;DR: Propyl 2-chloropropanoate (CAS 1569-03-5) is a chemical compound with molecular formula CCCOC(=O)C(C)Cl and molecular weight 150.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propyl 2-chloropropanoate
Also Known As: Propyl 2-chloropropanoate, Propyl 2-chloropropionate, Propyl2-chloropropanoate, Propyl 2-chloropropanoate #, 2-chloro-propionic acid propyl ester
| Molecular Formula | CCCOC(=O)C(C)Cl |
|---|---|
| Molecular Weight | 150.04 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 150.04475 |
| Heavy Atoms | 9 |
| Complexity | 93.0 |
Chemical Identifiers
| CAS Number | 1569-03-5 |
|---|---|
| SMILES | CCCOC(=O)C(C)Cl |
| InChIKey | XVDQGLUGZORASO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Propyl 2-chloropropanoate (CAS 1569-03-5), with molecular formula CCCOC(=O)C(C)Cl and molecular weight 150.04 g/mol. IUPAC: propyl 2-chloropropanoate.
Chemical Property Profile of Propyl 2-chloropropanoate
Property Insights of Propyl 2-chloropropanoate
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Propyl 2-chloropropanoate. With a topological polar surface area (TPSA) of 26.3 Ų, Propyl 2-chloropropanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Propyl 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 Propyl 2-chloropropanoate?
The CAS number of Propyl 2-chloropropanoate is 1569-03-5.
What is the molecular formula of Propyl 2-chloropropanoate?
The molecular formula of Propyl 2-chloropropanoate is CCCOC(=O)C(C)Cl.
What is the molecular weight of Propyl 2-chloropropanoate?
The molecular weight of Propyl 2-chloropropanoate is 150.04 g/mol.
Where can I buy Propyl 2-chloropropanoate?
You can request a quote for Propyl 2-chloropropanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Propyl 2-chloropropanoate?
Yes, KEHONG BIO provides custom synthesis services for Propyl 2-chloropropanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.