O,O-Dimethyl S-((2-oxo-3(2H)-benzoxazolyl)methyl) phosphorodithioate
TL;DR: O,O-Dimethyl S-((2-oxo-3(2H)-benzoxazolyl)methyl) phosphorodithioate (CAS 1218-13-9) is a chemical compound with molecular formula C10H12NO4PS2 and molecular weight 304.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(dimethoxyphosphinothioylsulfanylmethyl)-1,3-benzoxazol-2-one
Also Known As: Rhodia RP-11783, Clipman RP-11783, ENT 27,110, RP 11783, AI3-27110
| Molecular Formula | C10H12NO4PS2 |
|---|---|
| Molecular Weight | 304.99 g/mol |
| LogP | 2.8025 |
| Topological Polar Surface Area | 53.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 304.99454 |
| Heavy Atoms | 18 |
| Complexity | 642.6102 |
Chemical Identifiers
| CAS Number | 1218-13-9 |
|---|---|
| SMILES | COP(=S)(OC)SCN1C2=CC=CC=C2OC1=O |
Product Overview
O,O-Dimethyl S-((2-oxo-3(2H)-benzoxazolyl)methyl) phosphorodithioate (CAS 1218-13-9), with molecular formula C10H12NO4PS2 and molecular weight 304.99 g/mol. IUPAC: 3-(dimethoxyphosphinothioylsulfanylmethyl)-1,3-benzoxazol-2-one.
Chemical Property Profile of O,O-Dimethyl S-((2-oxo-3(2H)-benzoxazolyl)methyl) phosphorodithioate
Property Insights of O,O-Dimethyl S-((2-oxo-3(2H)-benzoxazolyl)methyl) phosphorodithioate
The XLogP value of 2.8025 suggests moderate lipophilicity, balancing water solubility and membrane permeability for O,O-Dimethyl S-((2-oxo-3(2H)-benzoxazolyl)methyl) phosphorodithioate. With a topological polar surface area (TPSA) of 53.6 Ų, O,O-Dimethyl S-((2-oxo-3(2H)-benzoxazolyl)methyl) phosphorodithioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, O,O-Dimethyl S-((2-oxo-3(2H)-benzoxazolyl)methyl) phosphorodithioate 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,O-Dimethyl S-((2-oxo-3(2H)-benzoxazolyl)methyl) phosphorodithioate?
The CAS number of O,O-Dimethyl S-((2-oxo-3(2H)-benzoxazolyl)methyl) phosphorodithioate is 1218-13-9.
What is the molecular formula of O,O-Dimethyl S-((2-oxo-3(2H)-benzoxazolyl)methyl) phosphorodithioate?
The molecular formula of O,O-Dimethyl S-((2-oxo-3(2H)-benzoxazolyl)methyl) phosphorodithioate is C10H12NO4PS2.
What is the molecular weight of O,O-Dimethyl S-((2-oxo-3(2H)-benzoxazolyl)methyl) phosphorodithioate?
The molecular weight of O,O-Dimethyl S-((2-oxo-3(2H)-benzoxazolyl)methyl) phosphorodithioate is 304.99 g/mol.
Where can I buy O,O-Dimethyl S-((2-oxo-3(2H)-benzoxazolyl)methyl) phosphorodithioate?
You can request a quote for O,O-Dimethyl S-((2-oxo-3(2H)-benzoxazolyl)methyl) phosphorodithioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for O,O-Dimethyl S-((2-oxo-3(2H)-benzoxazolyl)methyl) phosphorodithioate?
Yes, KEHONG BIO provides custom synthesis services for O,O-Dimethyl S-((2-oxo-3(2H)-benzoxazolyl)methyl) phosphorodithioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.