Inositol 1,4-bisphosphorothioate
TL;DR: Inositol 1,4-bisphosphorothioate (CAS 118628-30-1) is a chemical compound with molecular formula C6H14O10P2S2 and molecular weight 371.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1S,2S,4R,5S)-3,6-bis(dihydroxyphosphinothioyloxy)cyclohexane-1,2,4,5-tetrol
Also Known As: I-1,4-Bps, Inositol 1,4-bisphosphorothioate, myo-Inositol 1,4-bisphosphothioate, DL-myo-Inositol, 1,4-bis(dihydrogen phosphorothioate), (1S,2S,4R,5S)-3,6-bis(dihydroxyphosphinothioyloxy)cyclohexane-1,2,4,5-tetrol
| Molecular Formula | C6H14O10P2S2 |
|---|---|
| Molecular Weight | 371.95 g/mol |
| LogP | -3.3678 |
| Topological Polar Surface Area | 180.3 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 371.95035 |
| Heavy Atoms | 20 |
| Complexity | 379.46375 |
Chemical Identifiers
| CAS Number | 118628-30-1 |
|---|---|
| SMILES | [C@H]1([C@@H](C([C@H]([C@@H](C1OP(=S)(O)O)O)O)OP(=S)(O)O)O)O |
Product Overview
Inositol 1,4-bisphosphorothioate (CAS 118628-30-1), with molecular formula C6H14O10P2S2 and molecular weight 371.95 g/mol. IUPAC: (1S,2S,4R,5S)-3,6-bis(dihydroxyphosphinothioyloxy)cyclohexane-1,2,4,5-tetrol.
Chemical Property Profile of Inositol 1,4-bisphosphorothioate
Property Insights of Inositol 1,4-bisphosphorothioate
The XLogP value of -3.3678 indicates that Inositol 1,4-bisphosphorothioate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 180.3 Ų indicates high polarity, suggesting Inositol 1,4-bisphosphorothioate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Inositol 1,4-bisphosphorothioate has 8 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Inositol 1,4-bisphosphorothioate?
The CAS number of Inositol 1,4-bisphosphorothioate is 118628-30-1.
What is the molecular formula of Inositol 1,4-bisphosphorothioate?
The molecular formula of Inositol 1,4-bisphosphorothioate is C6H14O10P2S2.
What is the molecular weight of Inositol 1,4-bisphosphorothioate?
The molecular weight of Inositol 1,4-bisphosphorothioate is 371.95 g/mol.
Where can I buy Inositol 1,4-bisphosphorothioate?
You can request a quote for Inositol 1,4-bisphosphorothioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Inositol 1,4-bisphosphorothioate?
Yes, KEHONG BIO provides custom synthesis services for Inositol 1,4-bisphosphorothioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.