2-(2-Amino-acetylamino)-4-methylsulfanyl-butyric acid ethyl ester hydrochloride
TL;DR: 2-(2-Amino-acetylamino)-4-methylsulfanyl-butyric acid ethyl ester hydrochloride (CAS 55579-72-1) is a chemical compound with molecular formula C9H19ClN2O3S and molecular weight 270.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[(2-aminoacetyl)amino]-4-methylsulfanylbutanoate;hydrochloride
Also Known As: Ethyl glycylmethioninate hydrochloride, 2-(2-Amino-acetylamino)-4-methylsulfanyl-butyric acid ethyl ester hydrochloride, 5-(4-fluorophenyl)cyclohexane-1,3-dione, ethyl 2-[(2-aminoacetyl)amino]-4-methylsulfanylbutanoate;hydrochloride, ethyl 2-(2-aminoacetamido)-4-(methylthio)butanoate hydrochloride
| Molecular Formula | C9H19ClN2O3S |
|---|---|
| Molecular Weight | 270.08 g/mol |
| LogP | 0.1679 |
| Topological Polar Surface Area | 81.42 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 270.0805 |
| Heavy Atoms | 16 |
| Complexity | 216.93079 |
Chemical Identifiers
| CAS Number | 55579-72-1 |
|---|---|
| SMILES | CCOC(=O)C(CCSC)NC(=O)CN.Cl |
Product Overview
2-(2-Amino-acetylamino)-4-methylsulfanyl-butyric acid ethyl ester hydrochloride (CAS 55579-72-1), with molecular formula C9H19ClN2O3S and molecular weight 270.08 g/mol. IUPAC: ethyl 2-[(2-aminoacetyl)amino]-4-methylsulfanylbutanoate;hydrochloride.
Chemical Property Profile of 2-(2-Amino-acetylamino)-4-methylsulfanyl-butyric acid ethyl ester hydrochloride
Property Insights of 2-(2-Amino-acetylamino)-4-methylsulfanyl-butyric acid ethyl ester hydrochloride
The XLogP value of 0.1679 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(2-Amino-acetylamino)-4-methylsulfanyl-butyric acid ethyl ester hydrochloride. The TPSA of 81.42 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(2-Amino-acetylamino)-4-methylsulfanyl-butyric acid ethyl ester hydrochloride. Following Lipinski's Rule of Five, 2-(2-Amino-acetylamino)-4-methylsulfanyl-butyric acid ethyl ester hydrochloride has 2 hydrogen bond donor(s) and 5 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-(2-Amino-acetylamino)-4-methylsulfanyl-butyric acid ethyl ester hydrochloride?
The CAS number of 2-(2-Amino-acetylamino)-4-methylsulfanyl-butyric acid ethyl ester hydrochloride is 55579-72-1.
What is the molecular formula of 2-(2-Amino-acetylamino)-4-methylsulfanyl-butyric acid ethyl ester hydrochloride?
The molecular formula of 2-(2-Amino-acetylamino)-4-methylsulfanyl-butyric acid ethyl ester hydrochloride is C9H19ClN2O3S.
What is the molecular weight of 2-(2-Amino-acetylamino)-4-methylsulfanyl-butyric acid ethyl ester hydrochloride?
The molecular weight of 2-(2-Amino-acetylamino)-4-methylsulfanyl-butyric acid ethyl ester hydrochloride is 270.08 g/mol.
Where can I buy 2-(2-Amino-acetylamino)-4-methylsulfanyl-butyric acid ethyl ester hydrochloride?
You can request a quote for 2-(2-Amino-acetylamino)-4-methylsulfanyl-butyric acid ethyl ester hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(2-Amino-acetylamino)-4-methylsulfanyl-butyric acid ethyl ester hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 2-(2-Amino-acetylamino)-4-methylsulfanyl-butyric acid ethyl ester hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.