Homothiamineglycol
TL;DR: Homothiamineglycol (CAS 53855-89-3) is a chemical compound with molecular formula C16H29N2O4PS and molecular weight 376.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[6-(4-methylpentan-2-yloxy)pyridazin-3-yl]oxy-di(propan-2-yloxy)-sulfanylidene-λ5-phosphane
Also Known As: Homothiamineglycol, O,O-Bis(1-methylethyl) O-(6-(1,3-dimethylbutoxy)-3-pyridazinyl) phosphorothioate, Phosphorothioic acid, O,O-bis(1-methylethyl) O-(6-(1,3-dimethylbutoxy)-3-pyridazinyl) ester, [6-(4-methylpentan-2-yloxy)pyridazin-3-yl]oxy-di(propan-2-yloxy)-sulfanylidene-, O-{6-[(4-Methylpentan-2-yl)oxy]pyridazin-3-yl} O,O-di(propan-2-yl) phosphorothioate
| Molecular Formula | C16H29N2O4PS |
|---|---|
| Molecular Weight | 376.16 g/mol |
| LogP | 5.3 |
| Topological Polar Surface Area | 94.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 10 |
| Exact Mass | 376.15857 |
| Heavy Atoms | 24 |
| Complexity | 396.0 |
Chemical Identifiers
| CAS Number | 53855-89-3 |
|---|---|
| SMILES | CC(C)CC(C)OC1=NN=C(C=C1)OP(=S)(OC(C)C)OC(C)C |
| InChIKey | NTOXAXYUBQMUEI-UHFFFAOYSA-N |
Product Overview
Homothiamineglycol (CAS 53855-89-3), with molecular formula C16H29N2O4PS and molecular weight 376.16 g/mol. IUPAC: [6-(4-methylpentan-2-yloxy)pyridazin-3-yl]oxy-di(propan-2-yloxy)-sulfanylidene-λ5-phosphane.
Chemical Property Profile of Homothiamineglycol
Property Insights of Homothiamineglycol
The XLogP value of 5.3 indicates that Homothiamineglycol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 94.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Homothiamineglycol. Following Lipinski's Rule of Five, Homothiamineglycol has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Homothiamineglycol?
The CAS number of Homothiamineglycol is 53855-89-3.
What is the molecular formula of Homothiamineglycol?
The molecular formula of Homothiamineglycol is C16H29N2O4PS.
What is the molecular weight of Homothiamineglycol?
The molecular weight of Homothiamineglycol is 376.16 g/mol.
Where can I buy Homothiamineglycol?
You can request a quote for Homothiamineglycol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Homothiamineglycol?
Yes, KEHONG BIO provides custom synthesis services for Homothiamineglycol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.