((2-Aminoethyl)thio)acetic acid, methyl ester, hydrochloride
TL;DR: ((2-Aminoethyl)thio)acetic acid, methyl ester, hydrochloride (CAS 5345-44-8) is a chemical compound with molecular formula C5H12ClNO2S and molecular weight 185.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-(2-aminoethylsulfanyl)acetate;hydrochloride
Also Known As: methyl 2-[(2-aminoethyl)sulfanyl]acetate hydrochloride, ((2-Aminoethyl)thio)acetic acid, methyl ester, hydrochloride, methyl((2-aminoethyl)thio)acetate hydrochloride, Methyl ((2-aminoethyl)thio)acetate hydrochloride, methyl 2-(2-aminoethylsulfanyl)acetate;hydrochloride
| Molecular Formula | C5H12ClNO2S |
|---|---|
| Molecular Weight | 185.03 g/mol |
| LogP | 0.2731 |
| Topological Polar Surface Area | 77.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 185.02773 |
| Heavy Atoms | 10 |
| Complexity | 87.0 |
Chemical Identifiers
| CAS Number | 5345-44-8 |
|---|---|
| SMILES | COC(=O)CSCCN.Cl |
| InChIKey | LBYBMKYIAODETE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
((2-Aminoethyl)thio)acetic acid, methyl ester, hydrochloride (CAS 5345-44-8), with molecular formula C5H12ClNO2S and molecular weight 185.03 g/mol. IUPAC: methyl 2-(2-aminoethylsulfanyl)acetate;hydrochloride.
Chemical Property Profile of ((2-Aminoethyl)thio)acetic acid, methyl ester, hydrochloride
Property Insights of ((2-Aminoethyl)thio)acetic acid, methyl ester, hydrochloride
The XLogP value of 0.2731 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ((2-Aminoethyl)thio)acetic acid, methyl ester, hydrochloride. The TPSA of 77.6 Ų falls within the moderate polarity range, balancing permeability and solubility for ((2-Aminoethyl)thio)acetic acid, methyl ester, hydrochloride. Following Lipinski's Rule of Five, ((2-Aminoethyl)thio)acetic acid, methyl ester, hydrochloride has 2 hydrogen bond donor(s) and 4 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-Aminoethyl)thio)acetic acid, methyl ester, hydrochloride?
The CAS number of ((2-Aminoethyl)thio)acetic acid, methyl ester, hydrochloride is 5345-44-8.
What is the molecular formula of ((2-Aminoethyl)thio)acetic acid, methyl ester, hydrochloride?
The molecular formula of ((2-Aminoethyl)thio)acetic acid, methyl ester, hydrochloride is C5H12ClNO2S.
What is the molecular weight of ((2-Aminoethyl)thio)acetic acid, methyl ester, hydrochloride?
The molecular weight of ((2-Aminoethyl)thio)acetic acid, methyl ester, hydrochloride is 185.03 g/mol.
Where can I buy ((2-Aminoethyl)thio)acetic acid, methyl ester, hydrochloride?
You can request a quote for ((2-Aminoethyl)thio)acetic acid, methyl 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-Aminoethyl)thio)acetic acid, methyl ester, hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for ((2-Aminoethyl)thio)acetic acid, methyl ester, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.