Phosphorothioic acid, S-ester with 3-((2-mercaptoethyl)amino)propionamide
TL;DR: Phosphorothioic acid, S-ester with 3-((2-mercaptoethyl)amino)propionamide (CAS 33641-38-2) is a chemical compound with molecular formula C5H13N2O4PS and molecular weight 228.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(3-amino-3-oxopropyl)amino]ethylsulfanylphosphonic acid
Also Known As: Betamide, 3-((2-(Phosphonothio)ethyl)amino)propanamide, Propanamide, 3-((2-(phosphonothio)ethyl)amino)-, propanamide, 3-[[2-(phosphonothio)ethyl]amino]-, S-(2-((2'-Carbamoylethyl)amino)ethyl) dihydrogen phosphorothioate
| Molecular Formula | C5H13N2O4PS |
|---|---|
| Molecular Weight | 228.03 g/mol |
| LogP | -5.0 |
| Topological Polar Surface Area | 138.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 228.03337 |
| Heavy Atoms | 13 |
| Complexity | 207.0 |
Chemical Identifiers
| CAS Number | 33641-38-2 |
|---|---|
| SMILES | C(CNCCSP(=O)(O)O)C(=O)N |
| InChIKey | MQAISPIJGUNNSJ-UHFFFAOYSA-N |
Product Overview
Phosphorothioic acid, S-ester with 3-((2-mercaptoethyl)amino)propionamide (CAS 33641-38-2), with molecular formula C5H13N2O4PS and molecular weight 228.03 g/mol. IUPAC: 2-[(3-amino-3-oxopropyl)amino]ethylsulfanylphosphonic acid.
Chemical Property Profile of Phosphorothioic acid, S-ester with 3-((2-mercaptoethyl)amino)propionamide
Property Insights of Phosphorothioic acid, S-ester with 3-((2-mercaptoethyl)amino)propionamide
The XLogP value of -5.0 indicates that Phosphorothioic acid, S-ester with 3-((2-mercaptoethyl)amino)propionamide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 138.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Phosphorothioic acid, S-ester with 3-((2-mercaptoethyl)amino)propionamide. Following Lipinski's Rule of Five, Phosphorothioic acid, S-ester with 3-((2-mercaptoethyl)amino)propionamide has 4 hydrogen bond donor(s) and 6 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 Phosphorothioic acid, S-ester with 3-((2-mercaptoethyl)amino)propionamide?
The CAS number of Phosphorothioic acid, S-ester with 3-((2-mercaptoethyl)amino)propionamide is 33641-38-2.
What is the molecular formula of Phosphorothioic acid, S-ester with 3-((2-mercaptoethyl)amino)propionamide?
The molecular formula of Phosphorothioic acid, S-ester with 3-((2-mercaptoethyl)amino)propionamide is C5H13N2O4PS.
What is the molecular weight of Phosphorothioic acid, S-ester with 3-((2-mercaptoethyl)amino)propionamide?
The molecular weight of Phosphorothioic acid, S-ester with 3-((2-mercaptoethyl)amino)propionamide is 228.03 g/mol.
Where can I buy Phosphorothioic acid, S-ester with 3-((2-mercaptoethyl)amino)propionamide?
You can request a quote for Phosphorothioic acid, S-ester with 3-((2-mercaptoethyl)amino)propionamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phosphorothioic acid, S-ester with 3-((2-mercaptoethyl)amino)propionamide?
Yes, KEHONG BIO provides custom synthesis services for Phosphorothioic acid, S-ester with 3-((2-mercaptoethyl)amino)propionamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.