2-Chloroethyl 3-ethoxypropanoate
TL;DR: 2-Chloroethyl 3-ethoxypropanoate (CAS 69085-39-8) is a chemical compound with molecular formula C7H13ClO3 and molecular weight 180.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloroethyl 3-ethoxypropanoate
Also Known As: 2-chloroethyl 3-ethoxypropanoate, Propanoic acid,3-ethoxy-, 2-chloroethyl ester
| Molecular Formula | C7H13ClO3 |
|---|---|
| Molecular Weight | 180.06 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 180.05533 |
| Heavy Atoms | 11 |
| Complexity | 106.0 |
Chemical Identifiers
| CAS Number | 69085-39-8 |
|---|---|
| SMILES | CCOCCC(=O)OCCCl |
| InChIKey | OKZNCQAZXWRJCJ-UHFFFAOYSA-N |
Product Overview
2-Chloroethyl 3-ethoxypropanoate (CAS 69085-39-8), with molecular formula C7H13ClO3 and molecular weight 180.06 g/mol. IUPAC: 2-chloroethyl 3-ethoxypropanoate.
Chemical Property Profile of 2-Chloroethyl 3-ethoxypropanoate
Property Insights of 2-Chloroethyl 3-ethoxypropanoate
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Chloroethyl 3-ethoxypropanoate. With a topological polar surface area (TPSA) of 35.5 Ų, 2-Chloroethyl 3-ethoxypropanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Chloroethyl 3-ethoxypropanoate 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-Chloroethyl 3-ethoxypropanoate?
The CAS number of 2-Chloroethyl 3-ethoxypropanoate is 69085-39-8.
What is the molecular formula of 2-Chloroethyl 3-ethoxypropanoate?
The molecular formula of 2-Chloroethyl 3-ethoxypropanoate is C7H13ClO3.
What is the molecular weight of 2-Chloroethyl 3-ethoxypropanoate?
The molecular weight of 2-Chloroethyl 3-ethoxypropanoate is 180.06 g/mol.
Where can I buy 2-Chloroethyl 3-ethoxypropanoate?
You can request a quote for 2-Chloroethyl 3-ethoxypropanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Chloroethyl 3-ethoxypropanoate?
Yes, KEHONG BIO provides custom synthesis services for 2-Chloroethyl 3-ethoxypropanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.