Phosphorothioic acid, S-2,6-diaminohexyl ester, dihydrate, (L)-
TL;DR: Phosphorothioic acid, S-2,6-diaminohexyl ester, dihydrate, (L)- (CAS 78219-01-9) is a chemical compound with molecular formula C6H21N2O5PS and molecular weight 264.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2S)-2,6-diaminohexyl]sulfanylphosphonic acid;dihydrate
Also Known As: L-S-2,6-Diaminohexyl dihydrogen phosphorothioate dihydrate, Phosphorothioic acid, S-2,6-diaminohexyl ester, dihydrate, (L)-, [(2S)-2,6-diaminohexyl]sulfanylphosphonic acid dihydrate, 1-Hexanethiol, 2,6-diamino-, dihydrogen phosphate (ester), dihydrate, S-[(2S)-2,6-Diaminohexyl] dihydrogen phosphorothioate--water (1/2)
| Molecular Formula | C6H21N2O5PS |
|---|---|
| Molecular Weight | 264.09 g/mol |
| LogP | -1.3808 |
| Topological Polar Surface Area | 172.57 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 264.09088 |
| Heavy Atoms | 15 |
| Complexity | 178.90518 |
Chemical Identifiers
| CAS Number | 78219-01-9 |
|---|---|
| SMILES | C(CCN)C[C@@H](CSP(=O)(O)O)N.O.O |
Product Overview
Phosphorothioic acid, S-2,6-diaminohexyl ester, dihydrate, (L)- (CAS 78219-01-9), with molecular formula C6H21N2O5PS and molecular weight 264.09 g/mol. IUPAC: [(2S)-2,6-diaminohexyl]sulfanylphosphonic acid;dihydrate.
Chemical Property Profile of Phosphorothioic acid, S-2,6-diaminohexyl ester, dihydrate, (L)-
Property Insights of Phosphorothioic acid, S-2,6-diaminohexyl ester, dihydrate, (L)-
The XLogP value of -1.3808 indicates that Phosphorothioic acid, S-2,6-diaminohexyl ester, dihydrate, (L)- is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 172.57 Ų indicates high polarity, suggesting Phosphorothioic acid, S-2,6-diaminohexyl ester, dihydrate, (L)- may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Phosphorothioic acid, S-2,6-diaminohexyl ester, dihydrate, (L)- has 4 hydrogen bond donor(s) and 4 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, (L)-?
The CAS number of Phosphorothioic acid, S-2,6-diaminohexyl ester, dihydrate, (L)- is 78219-01-9.
What is the molecular formula of Phosphorothioic acid, S-2,6-diaminohexyl ester, dihydrate, (L)-?
The molecular formula of Phosphorothioic acid, S-2,6-diaminohexyl ester, dihydrate, (L)- is C6H21N2O5PS.
What is the molecular weight of Phosphorothioic acid, S-2,6-diaminohexyl ester, dihydrate, (L)-?
The molecular weight of Phosphorothioic acid, S-2,6-diaminohexyl ester, dihydrate, (L)- is 264.09 g/mol.
Where can I buy Phosphorothioic acid, S-2,6-diaminohexyl ester, dihydrate, (L)-?
You can request a quote for Phosphorothioic acid, S-2,6-diaminohexyl ester, dihydrate, (L)- 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, (L)-?
Yes, KEHONG BIO provides custom synthesis services for Phosphorothioic acid, S-2,6-diaminohexyl ester, dihydrate, (L)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.