Butyl 2-chloropropanoate
TL;DR: Butyl 2-chloropropanoate (CAS 54819-86-2) is a chemical compound with molecular formula CCCCOC(=O)C(C)Cl and molecular weight 164.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
butyl 2-chloropropanoate
Also Known As: Butyl 2-chloropropanoate, Butyl 2-chloropropionate, Butyl2-chloropropanoate, Butyl=2-chloropropionate, 2-Chloropropanoic acid butyl ester
| Molecular Formula | CCCCOC(=O)C(C)Cl |
|---|---|
| Molecular Weight | 164.06 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 164.06041 |
| Heavy Atoms | 10 |
| Complexity | 104.0 |
Chemical Identifiers
| CAS Number | 54819-86-2 |
|---|---|
| SMILES | CCCCOC(=O)C(C)Cl |
| InChIKey | KATNUXHENWPMQJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Butyl 2-chloropropanoate (CAS 54819-86-2), with molecular formula CCCCOC(=O)C(C)Cl and molecular weight 164.06 g/mol. IUPAC: butyl 2-chloropropanoate.
Chemical Property Profile of Butyl 2-chloropropanoate
Property Insights of Butyl 2-chloropropanoate
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Butyl 2-chloropropanoate. With a topological polar surface area (TPSA) of 26.3 Ų, Butyl 2-chloropropanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Butyl 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 Butyl 2-chloropropanoate?
The CAS number of Butyl 2-chloropropanoate is 54819-86-2.
What is the molecular formula of Butyl 2-chloropropanoate?
The molecular formula of Butyl 2-chloropropanoate is CCCCOC(=O)C(C)Cl.
What is the molecular weight of Butyl 2-chloropropanoate?
The molecular weight of Butyl 2-chloropropanoate is 164.06 g/mol.
Where can I buy Butyl 2-chloropropanoate?
You can request a quote for Butyl 2-chloropropanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Butyl 2-chloropropanoate?
Yes, KEHONG BIO provides custom synthesis services for Butyl 2-chloropropanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.