Phosphorothioic acid, S-2,6-diaminohexyl ester, dihydrate
TL;DR: Phosphorothioic acid, S-2,6-diaminohexyl ester, dihydrate (CAS 70561-82-9) is a chemical compound with molecular formula C6H17N2O3PS and molecular weight 228.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,6-diaminohexylsulfanylphosphonic acid
Also Known As: 2,6-diaminohexylsulfanylphosphonic acid, S-2,6-Diaminohexyl dihydrogen phosphorothioate dihydrate, Phosphorothioic acid, S-2,6-diaminohexyl ester, dihydrate, S-(2,6-Diaminohexyl) dihydrogen phosphorothioate, RefChem:1095525
| Molecular Formula | C6H17N2O3PS |
|---|---|
| Molecular Weight | 228.07 g/mol |
| LogP | -4.2 |
| Topological Polar Surface Area | 135.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 228.06975 |
| Heavy Atoms | 13 |
| Complexity | 175.0 |
Chemical Identifiers
| CAS Number | 70561-82-9 |
|---|---|
| SMILES | C(CCN)CC(CSP(=O)(O)O)N |
| InChIKey | SRWMQRSLTLJWRD-UHFFFAOYSA-N |
Product Overview
Phosphorothioic acid, S-2,6-diaminohexyl ester, dihydrate (CAS 70561-82-9), with molecular formula C6H17N2O3PS and molecular weight 228.07 g/mol. IUPAC: 2,6-diaminohexylsulfanylphosphonic acid.
Chemical Property Profile of Phosphorothioic acid, S-2,6-diaminohexyl ester, dihydrate
Property Insights of Phosphorothioic acid, S-2,6-diaminohexyl ester, dihydrate
The XLogP value of -4.2 indicates that Phosphorothioic acid, S-2,6-diaminohexyl ester, dihydrate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 135.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Phosphorothioic acid, S-2,6-diaminohexyl ester, dihydrate. Following Lipinski's Rule of Five, Phosphorothioic acid, S-2,6-diaminohexyl ester, dihydrate 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-2,6-diaminohexyl ester, dihydrate?
The CAS number of Phosphorothioic acid, S-2,6-diaminohexyl ester, dihydrate is 70561-82-9.
What is the molecular formula of Phosphorothioic acid, S-2,6-diaminohexyl ester, dihydrate?
The molecular formula of Phosphorothioic acid, S-2,6-diaminohexyl ester, dihydrate is C6H17N2O3PS.
What is the molecular weight of Phosphorothioic acid, S-2,6-diaminohexyl ester, dihydrate?
The molecular weight of Phosphorothioic acid, S-2,6-diaminohexyl ester, dihydrate is 228.07 g/mol.
Where can I buy Phosphorothioic acid, S-2,6-diaminohexyl ester, dihydrate?
You can request a quote for Phosphorothioic acid, S-2,6-diaminohexyl ester, dihydrate 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-2,6-diaminohexyl ester, dihydrate?
Yes, KEHONG BIO provides custom synthesis services for Phosphorothioic acid, S-2,6-diaminohexyl ester, dihydrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.