2-((Imino(phosphonoamino)methyl)amino)ethanesulfonic acid
TL;DR: 2-((Imino(phosphonoamino)methyl)amino)ethanesulfonic acid (CAS 4189-99-5) is a chemical compound with molecular formula C3H10N3O6PS and molecular weight 247.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[amino-(phosphonoamino)methylidene]amino]ethanesulfonic acid
Also Known As: Taurocyaminphosphate, Phosphotaurocyamine, N-Phosphotaurocyamine, Taurocyamine phosphate, N(omega)-Phosphotaurocyamine
| Molecular Formula | C3H10N3O6PS |
|---|---|
| Molecular Weight | 247.00 g/mol |
| LogP | -3.7 |
| Topological Polar Surface Area | 171.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 247.00279 |
| Heavy Atoms | 14 |
| Complexity | 351.0 |
Chemical Identifiers
| CAS Number | 4189-99-5 |
|---|---|
| SMILES | C(CS(=O)(=O)O)N=C(N)NP(=O)(O)O |
| InChIKey | JOYGYOHHMWVUFM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-((Imino(phosphonoamino)methyl)amino)ethanesulfonic acid (CAS 4189-99-5), with molecular formula C3H10N3O6PS and molecular weight 247.00 g/mol. IUPAC: 2-[[amino-(phosphonoamino)methylidene]amino]ethanesulfonic acid.
Chemical Property Profile of 2-((Imino(phosphonoamino)methyl)amino)ethanesulfonic acid
Property Insights of 2-((Imino(phosphonoamino)methyl)amino)ethanesulfonic acid
The XLogP value of -3.7 indicates that 2-((Imino(phosphonoamino)methyl)amino)ethanesulfonic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 171.0 Ų indicates high polarity, suggesting 2-((Imino(phosphonoamino)methyl)amino)ethanesulfonic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2-((Imino(phosphonoamino)methyl)amino)ethanesulfonic acid has 5 hydrogen bond donor(s) and 7 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-((Imino(phosphonoamino)methyl)amino)ethanesulfonic acid?
The CAS number of 2-((Imino(phosphonoamino)methyl)amino)ethanesulfonic acid is 4189-99-5.
What is the molecular formula of 2-((Imino(phosphonoamino)methyl)amino)ethanesulfonic acid?
The molecular formula of 2-((Imino(phosphonoamino)methyl)amino)ethanesulfonic acid is C3H10N3O6PS.
What is the molecular weight of 2-((Imino(phosphonoamino)methyl)amino)ethanesulfonic acid?
The molecular weight of 2-((Imino(phosphonoamino)methyl)amino)ethanesulfonic acid is 247.00 g/mol.
Where can I buy 2-((Imino(phosphonoamino)methyl)amino)ethanesulfonic acid?
You can request a quote for 2-((Imino(phosphonoamino)methyl)amino)ethanesulfonic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-((Imino(phosphonoamino)methyl)amino)ethanesulfonic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-((Imino(phosphonoamino)methyl)amino)ethanesulfonic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.