O-Heptan-2-yl O,O-bis(2-methoxyethyl) phosphorothioate
TL;DR: O-Heptan-2-yl O,O-bis(2-methoxyethyl) phosphorothioate (CAS 72197-85-4) is a chemical compound with molecular formula C13H29O5PS and molecular weight 328.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
heptan-2-yloxy-bis(2-methoxyethoxy)-sulfanylidene-λ5-phosphane
Also Known As: S-Heptyl O,O-bis(2-methoxyethyl)phosphorothioate, Phosphorothioic acid, O,O-bis(2-methoxyethyl) S-heptyl ester, heptan-2-yloxy-bis(2-methoxyethoxy)-sulfanylidene-, O-HEPTAN-2-YL O,O-BIS(2-METHOXYETHYL) PHOSPHOROTHIOATE, O-(Heptan-2-yl) O,O-bis(2-methoxyethyl) phosphorothioate
| Molecular Formula | C13H29O5PS |
|---|---|
| Molecular Weight | 328.15 g/mol |
| LogP | 3.5223 |
| Topological Polar Surface Area | 46.15 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 14 |
| Exact Mass | 328.14734 |
| Heavy Atoms | 20 |
| Complexity | 251.14607 |
Chemical Identifiers
| CAS Number | 72197-85-4 |
|---|---|
| SMILES | CCCCCC(C)OP(=S)(OCCOC)OCCOC |
Product Overview
O-Heptan-2-yl O,O-bis(2-methoxyethyl) phosphorothioate (CAS 72197-85-4), with molecular formula C13H29O5PS and molecular weight 328.15 g/mol. IUPAC: heptan-2-yloxy-bis(2-methoxyethoxy)-sulfanylidene-λ5-phosphane.
Chemical Property Profile of O-Heptan-2-yl O,O-bis(2-methoxyethyl) phosphorothioate
Property Insights of O-Heptan-2-yl O,O-bis(2-methoxyethyl) phosphorothioate
The XLogP value of 3.5223 indicates that O-Heptan-2-yl O,O-bis(2-methoxyethyl) phosphorothioate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.15 Ų, O-Heptan-2-yl O,O-bis(2-methoxyethyl) phosphorothioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, O-Heptan-2-yl O,O-bis(2-methoxyethyl) phosphorothioate 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 O-Heptan-2-yl O,O-bis(2-methoxyethyl) phosphorothioate?
The CAS number of O-Heptan-2-yl O,O-bis(2-methoxyethyl) phosphorothioate is 72197-85-4.
What is the molecular formula of O-Heptan-2-yl O,O-bis(2-methoxyethyl) phosphorothioate?
The molecular formula of O-Heptan-2-yl O,O-bis(2-methoxyethyl) phosphorothioate is C13H29O5PS.
What is the molecular weight of O-Heptan-2-yl O,O-bis(2-methoxyethyl) phosphorothioate?
The molecular weight of O-Heptan-2-yl O,O-bis(2-methoxyethyl) phosphorothioate is 328.15 g/mol.
Where can I buy O-Heptan-2-yl O,O-bis(2-methoxyethyl) phosphorothioate?
You can request a quote for O-Heptan-2-yl O,O-bis(2-methoxyethyl) phosphorothioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for O-Heptan-2-yl O,O-bis(2-methoxyethyl) phosphorothioate?
Yes, KEHONG BIO provides custom synthesis services for O-Heptan-2-yl O,O-bis(2-methoxyethyl) phosphorothioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.