(2-(Benzylthio)ethyl)ammonium hydrogen malate
TL;DR: (2-(Benzylthio)ethyl)ammonium hydrogen malate (CAS 22572-37-8) is a chemical compound with molecular formula C13H19NO5S and molecular weight 301.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-benzylsulfanylethanamine;2-hydroxybutanedioic acid
Also Known As: [2- ethyl]ammoniumhydrogenmalate|EINECS 245-094-6|(2-(Benzylthio)ethyl)ammonium hydrogen malate|2-benzylsulfanylethanamine; 2-hydroxybutanedioic acid|2-Hydroxybutanedioic acid--2-(benzylsulfanyl)ethan-1-amine (1/1)|PYVXEGXCZNNDNS-UHFFFAOYSA-N
| Molecular Formula | C13H19NO5S |
|---|---|
| Molecular Weight | 301.10 g/mol |
| LogP | 0.7851 |
| Topological Polar Surface Area | 120.85 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 301.0984 |
| Heavy Atoms | 20 |
| Complexity | 399.0078 |
Chemical Identifiers
| CAS Number | 22572-37-8 |
|---|---|
| SMILES | C1=CC=C(C=C1)CSCCN.C(C(C(=O)O)O)C(=O)O |
Product Overview
(2-(Benzylthio)ethyl)ammonium hydrogen malate (CAS 22572-37-8), with molecular formula C13H19NO5S and molecular weight 301.10 g/mol. IUPAC: 2-benzylsulfanylethanamine;2-hydroxybutanedioic acid.
Chemical Property Profile of (2-(Benzylthio)ethyl)ammonium hydrogen malate
Property Insights of (2-(Benzylthio)ethyl)ammonium hydrogen malate
The XLogP value of 0.7851 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2-(Benzylthio)ethyl)ammonium hydrogen malate. The TPSA of 120.85 Ų falls within the moderate polarity range, balancing permeability and solubility for (2-(Benzylthio)ethyl)ammonium hydrogen malate. Following Lipinski's Rule of Five, (2-(Benzylthio)ethyl)ammonium hydrogen malate has 4 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-(Benzylthio)ethyl)ammonium hydrogen malate?
The CAS number of (2-(Benzylthio)ethyl)ammonium hydrogen malate is 22572-37-8.
What is the molecular formula of (2-(Benzylthio)ethyl)ammonium hydrogen malate?
The molecular formula of (2-(Benzylthio)ethyl)ammonium hydrogen malate is C13H19NO5S.
What is the molecular weight of (2-(Benzylthio)ethyl)ammonium hydrogen malate?
The molecular weight of (2-(Benzylthio)ethyl)ammonium hydrogen malate is 301.10 g/mol.
Where can I buy (2-(Benzylthio)ethyl)ammonium hydrogen malate?
You can request a quote for (2-(Benzylthio)ethyl)ammonium hydrogen malate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2-(Benzylthio)ethyl)ammonium hydrogen malate?
Yes, KEHONG BIO provides custom synthesis services for (2-(Benzylthio)ethyl)ammonium hydrogen malate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.