2-Butoxyethyl chloroacetate
TL;DR: 2-Butoxyethyl chloroacetate (CAS 5330-17-6) is a chemical compound with molecular formula C8H15ClO3 and molecular weight 194.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-butoxyethyl 2-chloroacetate
Also Known As: 2-Butoxyethyl chloroacetate, 2-butoxyethyl 2-chloroacetate, 2-butoxyethylchloroacetate, Acetic acid, chloro-, 2-butoxyethyl ester, Acetic acid, 2-butoxyethyl ester
| Molecular Formula | C8H15ClO3 |
|---|---|
| Molecular Weight | 194.07 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 8 |
| Exact Mass | 194.07097 |
| Heavy Atoms | 12 |
| Complexity | 117.0 |
Chemical Identifiers
| CAS Number | 5330-17-6 |
|---|---|
| SMILES | CCCCOCCOC(=O)CCl |
| InChIKey | RXRRMKNUVQKPIQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Butoxyethyl chloroacetate (CAS 5330-17-6), with molecular formula C8H15ClO3 and molecular weight 194.07 g/mol. IUPAC: 2-butoxyethyl 2-chloroacetate.
Chemical Property Profile of 2-Butoxyethyl chloroacetate
Property Insights of 2-Butoxyethyl chloroacetate
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Butoxyethyl chloroacetate. With a topological polar surface area (TPSA) of 35.5 Ų, 2-Butoxyethyl chloroacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Butoxyethyl chloroacetate has 0 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 2-Butoxyethyl chloroacetate?
The CAS number of 2-Butoxyethyl chloroacetate is 5330-17-6.
What is the molecular formula of 2-Butoxyethyl chloroacetate?
The molecular formula of 2-Butoxyethyl chloroacetate is C8H15ClO3.
What is the molecular weight of 2-Butoxyethyl chloroacetate?
The molecular weight of 2-Butoxyethyl chloroacetate is 194.07 g/mol.
Where can I buy 2-Butoxyethyl chloroacetate?
You can request a quote for 2-Butoxyethyl chloroacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Butoxyethyl chloroacetate?
Yes, KEHONG BIO provides custom synthesis services for 2-Butoxyethyl chloroacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.