p-((2-((2-Mercaptoethyl)amino)ethyl)amino)benzoic acid ethyl ester hydrogen sulfate
TL;DR: p-((2-((2-Mercaptoethyl)amino)ethyl)amino)benzoic acid ethyl ester hydrogen sulfate (CAS 26957-80-2) is a chemical compound with molecular formula C13H20N2O5S2 and molecular weight 348.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-oxo-3-[4-[2-(2-sulfanylethylamino)ethylamino]phenyl]propyl] hydrogen sulfate
Also Known As: p-((2-((2-Mercaptoethyl)amino)ethyl)amino)benzoic acid ethyl ester hydrogen sulfate, S-2-(2-(p-Ethoxycarbonylanilino)ethylamino)ethyl hydrogenthiosulfate, Benzoic acid, p-((2-((2-mercaptoethyl)amino)ethyl)amino)-, ethyl ester, hydrogen sulfate (ester), 3-oxo-3-[4-({2-[(2-sulfanylethyl)amino]ethyl}amino)phenyl]propyl hydrogen sulfate, [3-oxo-3-[4-[2-(2-sulfanylethylamino)ethylamino]phenyl]propyl] hydrogen sulfate
| Molecular Formula | C13H20N2O5S2 |
|---|---|
| Molecular Weight | 348.08 g/mol |
| LogP | -2.0 |
| Topological Polar Surface Area | 114.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 11 |
| Exact Mass | 348.08136 |
| Heavy Atoms | 22 |
| Complexity | 417.0 |
Chemical Identifiers
| CAS Number | 26957-80-2 |
|---|---|
| SMILES | C1=CC(=CC=C1C(=O)CCOS(=O)(=O)O)NCCNCCS |
| InChIKey | XDJAPCFNIUEZDN-UHFFFAOYSA-N |
Product Overview
p-((2-((2-Mercaptoethyl)amino)ethyl)amino)benzoic acid ethyl ester hydrogen sulfate (CAS 26957-80-2), with molecular formula C13H20N2O5S2 and molecular weight 348.08 g/mol. IUPAC: [3-oxo-3-[4-[2-(2-sulfanylethylamino)ethylamino]phenyl]propyl] hydrogen sulfate.
Chemical Property Profile of p-((2-((2-Mercaptoethyl)amino)ethyl)amino)benzoic acid ethyl ester hydrogen sulfate
Property Insights of p-((2-((2-Mercaptoethyl)amino)ethyl)amino)benzoic acid ethyl ester hydrogen sulfate
The XLogP value of -2.0 indicates that p-((2-((2-Mercaptoethyl)amino)ethyl)amino)benzoic acid ethyl ester hydrogen sulfate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 114.0 Ų falls within the moderate polarity range, balancing permeability and solubility for p-((2-((2-Mercaptoethyl)amino)ethyl)amino)benzoic acid ethyl ester hydrogen sulfate. Following Lipinski's Rule of Five, p-((2-((2-Mercaptoethyl)amino)ethyl)amino)benzoic acid ethyl ester hydrogen sulfate has 4 hydrogen bond donor(s) and 8 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 p-((2-((2-Mercaptoethyl)amino)ethyl)amino)benzoic acid ethyl ester hydrogen sulfate?
The CAS number of p-((2-((2-Mercaptoethyl)amino)ethyl)amino)benzoic acid ethyl ester hydrogen sulfate is 26957-80-2.
What is the molecular formula of p-((2-((2-Mercaptoethyl)amino)ethyl)amino)benzoic acid ethyl ester hydrogen sulfate?
The molecular formula of p-((2-((2-Mercaptoethyl)amino)ethyl)amino)benzoic acid ethyl ester hydrogen sulfate is C13H20N2O5S2.
What is the molecular weight of p-((2-((2-Mercaptoethyl)amino)ethyl)amino)benzoic acid ethyl ester hydrogen sulfate?
The molecular weight of p-((2-((2-Mercaptoethyl)amino)ethyl)amino)benzoic acid ethyl ester hydrogen sulfate is 348.08 g/mol.
Where can I buy p-((2-((2-Mercaptoethyl)amino)ethyl)amino)benzoic acid ethyl ester hydrogen sulfate?
You can request a quote for p-((2-((2-Mercaptoethyl)amino)ethyl)amino)benzoic acid ethyl ester hydrogen sulfate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for p-((2-((2-Mercaptoethyl)amino)ethyl)amino)benzoic acid ethyl ester hydrogen sulfate?
Yes, KEHONG BIO provides custom synthesis services for p-((2-((2-Mercaptoethyl)amino)ethyl)amino)benzoic acid ethyl ester hydrogen sulfate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.