Ethyl 2-(3-chloropropanoylamino)acetate
TL;DR: Ethyl 2-(3-chloropropanoylamino)acetate (CAS 130558-77-9) is a chemical compound with molecular formula C7H12ClNO3 and molecular weight 193.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(3-chloropropanoylamino)acetate
Also Known As: Ethyl 2-(3-chloropropanoylamino)acetate, glycine, n-(3-chloro-1-oxopropyl)-, ethyl ester
| Molecular Formula | C7H12ClNO3 |
|---|---|
| Molecular Weight | 193.05 g/mol |
| LogP | 0.2946 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 193.05057 |
| Heavy Atoms | 12 |
| Complexity | 142.73048 |
Chemical Identifiers
| CAS Number | 130558-77-9 |
|---|---|
| SMILES | CCOC(=O)CNC(=O)CCCl |
Product Overview
Ethyl 2-(3-chloropropanoylamino)acetate (CAS 130558-77-9), with molecular formula C7H12ClNO3 and molecular weight 193.05 g/mol. IUPAC: ethyl 2-(3-chloropropanoylamino)acetate.
Chemical Property Profile of Ethyl 2-(3-chloropropanoylamino)acetate
Property Insights of Ethyl 2-(3-chloropropanoylamino)acetate
The XLogP value of 0.2946 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2-(3-chloropropanoylamino)acetate. With a topological polar surface area (TPSA) of 55.4 Ų, Ethyl 2-(3-chloropropanoylamino)acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 2-(3-chloropropanoylamino)acetate has 1 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 Ethyl 2-(3-chloropropanoylamino)acetate?
The CAS number of Ethyl 2-(3-chloropropanoylamino)acetate is 130558-77-9.
What is the molecular formula of Ethyl 2-(3-chloropropanoylamino)acetate?
The molecular formula of Ethyl 2-(3-chloropropanoylamino)acetate is C7H12ClNO3.
What is the molecular weight of Ethyl 2-(3-chloropropanoylamino)acetate?
The molecular weight of Ethyl 2-(3-chloropropanoylamino)acetate is 193.05 g/mol.
Where can I buy Ethyl 2-(3-chloropropanoylamino)acetate?
You can request a quote for Ethyl 2-(3-chloropropanoylamino)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 2-(3-chloropropanoylamino)acetate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-(3-chloropropanoylamino)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.