Phosphorothioic acid, O,O-diethyl S-heptyl ester
TL;DR: Phosphorothioic acid, O,O-diethyl S-heptyl ester (CAS 6324-49-8) is a chemical compound with molecular formula C11H25O3PS and molecular weight 268.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethoxy-heptan-2-yloxy-sulfanylidene-λ5-phosphane
Also Known As: O,O-Diethyl S-heptyl phosphorothioate, o,o-diethyl o-heptan-2-yl phosphorothioate, diethoxy-heptan-2-yloxy-sulfanylidene-, Phosphorothioic acid, O,O-diethyl S-heptyl ester, O,O-Diethyl O-(heptan-2-yl) phosphorothioate
| Molecular Formula | C11H25O3PS |
|---|---|
| Molecular Weight | 268.13 g/mol |
| LogP | 4.7 |
| Topological Polar Surface Area | 59.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 10 |
| Exact Mass | 268.1262 |
| Heavy Atoms | 16 |
| Complexity | 201.0 |
Chemical Identifiers
| CAS Number | 6324-49-8 |
|---|---|
| SMILES | CCCCCC(C)OP(=S)(OCC)OCC |
| InChIKey | NETWHEUXGRBSSI-UHFFFAOYSA-N |
Product Overview
Phosphorothioic acid, O,O-diethyl S-heptyl ester (CAS 6324-49-8), with molecular formula C11H25O3PS and molecular weight 268.13 g/mol. IUPAC: diethoxy-heptan-2-yloxy-sulfanylidene-λ5-phosphane.
Chemical Property Profile of Phosphorothioic acid, O,O-diethyl S-heptyl ester
Property Insights of Phosphorothioic acid, O,O-diethyl S-heptyl ester
The XLogP value of 4.7 indicates that Phosphorothioic acid, O,O-diethyl S-heptyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.8 Ų, Phosphorothioic acid, O,O-diethyl S-heptyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Phosphorothioic acid, O,O-diethyl S-heptyl ester has 0 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, O,O-diethyl S-heptyl ester?
The CAS number of Phosphorothioic acid, O,O-diethyl S-heptyl ester is 6324-49-8.
What is the molecular formula of Phosphorothioic acid, O,O-diethyl S-heptyl ester?
The molecular formula of Phosphorothioic acid, O,O-diethyl S-heptyl ester is C11H25O3PS.
What is the molecular weight of Phosphorothioic acid, O,O-diethyl S-heptyl ester?
The molecular weight of Phosphorothioic acid, O,O-diethyl S-heptyl ester is 268.13 g/mol.
Where can I buy Phosphorothioic acid, O,O-diethyl S-heptyl ester?
You can request a quote for Phosphorothioic acid, O,O-diethyl S-heptyl 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-diethyl S-heptyl ester?
Yes, KEHONG BIO provides custom synthesis services for Phosphorothioic acid, O,O-diethyl S-heptyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.