N-(4-Chloro-1-oxobutyl)glycine ethyl ester
TL;DR: N-(4-Chloro-1-oxobutyl)glycine ethyl ester (CAS 125670-65-7) is a chemical compound with molecular formula C8H14ClNO3 and molecular weight 207.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(4-chlorobutanoylamino)acetate
Also Known As: Ethyl 2-(4-chlorobutanoylamino)acetate, ethyl 2-(4-chlorobutyramido)acetate, Ethyl N-(4-chlorobutanoyl)glycinate, N-(4-Chloro-1-oxobutyl)glycine ethyl ester
| Molecular Formula | C8H14ClNO3 |
|---|---|
| Molecular Weight | 207.07 g/mol |
| LogP | 0.6847 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 207.06622 |
| Heavy Atoms | 13 |
| Complexity | 172.77208 |
Chemical Identifiers
| CAS Number | 125670-65-7 |
|---|---|
| SMILES | CCOC(=O)CNC(=O)CCCCl |
Product Overview
N-(4-Chloro-1-oxobutyl)glycine ethyl ester (CAS 125670-65-7), with molecular formula C8H14ClNO3 and molecular weight 207.07 g/mol. IUPAC: ethyl 2-(4-chlorobutanoylamino)acetate.
Chemical Property Profile of N-(4-Chloro-1-oxobutyl)glycine ethyl ester
Property Insights of N-(4-Chloro-1-oxobutyl)glycine ethyl ester
The XLogP value of 0.6847 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(4-Chloro-1-oxobutyl)glycine ethyl ester. With a topological polar surface area (TPSA) of 55.4 Ų, N-(4-Chloro-1-oxobutyl)glycine ethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(4-Chloro-1-oxobutyl)glycine ethyl ester 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 N-(4-Chloro-1-oxobutyl)glycine ethyl ester?
The CAS number of N-(4-Chloro-1-oxobutyl)glycine ethyl ester is 125670-65-7.
What is the molecular formula of N-(4-Chloro-1-oxobutyl)glycine ethyl ester?
The molecular formula of N-(4-Chloro-1-oxobutyl)glycine ethyl ester is C8H14ClNO3.
What is the molecular weight of N-(4-Chloro-1-oxobutyl)glycine ethyl ester?
The molecular weight of N-(4-Chloro-1-oxobutyl)glycine ethyl ester is 207.07 g/mol.
Where can I buy N-(4-Chloro-1-oxobutyl)glycine ethyl ester?
You can request a quote for N-(4-Chloro-1-oxobutyl)glycine ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(4-Chloro-1-oxobutyl)glycine ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for N-(4-Chloro-1-oxobutyl)glycine ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.