Phosphorothioic acid, O,O-bis(2-methoxyethyl) S-hexyl ester
TL;DR: Phosphorothioic acid, O,O-bis(2-methoxyethyl) S-hexyl ester (CAS 72197-84-3) is a chemical compound with molecular formula C12H27O5PS and molecular weight 314.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
hexan-2-yloxy-bis(2-methoxyethoxy)-sulfanylidene-λ5-phosphane
Also Known As: S-Hexyl O,O-bis(2-methoxyethyl)phosphorothioate, Phosphorothioic acid, O,O-bis(2-methoxyethyl) S-hexyl ester, hexan-2-yloxy-bis(2-methoxyethoxy)-sulfanylidene-, O-Hexan-2-yl O,O-bis(2-methoxyethyl) phosphorothioate, O-(Hexan-2-yl) O,O-bis(2-methoxyethyl) phosphorothioate
| Molecular Formula | C12H27O5PS |
|---|---|
| Molecular Weight | 314.13 g/mol |
| LogP | 3.1322 |
| Topological Polar Surface Area | 46.15 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 13 |
| Exact Mass | 314.13168 |
| Heavy Atoms | 19 |
| Complexity | 238.27425 |
Chemical Identifiers
| CAS Number | 72197-84-3 |
|---|---|
| SMILES | CCCCC(C)OP(=S)(OCCOC)OCCOC |
Product Overview
Phosphorothioic acid, O,O-bis(2-methoxyethyl) S-hexyl ester (CAS 72197-84-3), with molecular formula C12H27O5PS and molecular weight 314.13 g/mol. IUPAC: hexan-2-yloxy-bis(2-methoxyethoxy)-sulfanylidene-λ5-phosphane.
Chemical Property Profile of Phosphorothioic acid, O,O-bis(2-methoxyethyl) S-hexyl ester
Property Insights of Phosphorothioic acid, O,O-bis(2-methoxyethyl) S-hexyl ester
The XLogP value of 3.1322 indicates that Phosphorothioic acid, O,O-bis(2-methoxyethyl) S-hexyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.15 Ų, Phosphorothioic acid, O,O-bis(2-methoxyethyl) S-hexyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Phosphorothioic acid, O,O-bis(2-methoxyethyl) S-hexyl ester has 0 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, O,O-bis(2-methoxyethyl) S-hexyl ester?
The CAS number of Phosphorothioic acid, O,O-bis(2-methoxyethyl) S-hexyl ester is 72197-84-3.
What is the molecular formula of Phosphorothioic acid, O,O-bis(2-methoxyethyl) S-hexyl ester?
The molecular formula of Phosphorothioic acid, O,O-bis(2-methoxyethyl) S-hexyl ester is C12H27O5PS.
What is the molecular weight of Phosphorothioic acid, O,O-bis(2-methoxyethyl) S-hexyl ester?
The molecular weight of Phosphorothioic acid, O,O-bis(2-methoxyethyl) S-hexyl ester is 314.13 g/mol.
Where can I buy Phosphorothioic acid, O,O-bis(2-methoxyethyl) S-hexyl ester?
You can request a quote for Phosphorothioic acid, O,O-bis(2-methoxyethyl) S-hexyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phosphorothioic acid, O,O-bis(2-methoxyethyl) S-hexyl ester?
Yes, KEHONG BIO provides custom synthesis services for Phosphorothioic acid, O,O-bis(2-methoxyethyl) S-hexyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.