o-(3-Methoxyphenyl) o,o-dimethyl phosphorothioate
TL;DR: o-(3-Methoxyphenyl) o,o-dimethyl phosphorothioate (CAS 6301-68-4) is a chemical compound with molecular formula C9H13O4PS and molecular weight 248.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethoxy-(3-methoxyphenoxy)-sulfanylidene-λ5-phosphane
Also Known As: o-(3-methoxyphenyl) o,o-dimethyl phosphorothioate, dimethoxy-(3-methoxyphenoxy)-sulfanylidene-, Dimethoxy-(3-methoxyphenoxy)-sulfanylidene-phosphorane, O-3-METHOXYPHENYL O,O-DIMETHYL PHOSPHOROTHIOATE, Thiophosphoric acid O,O-dimethyl O-[m-methoxyphenyl] ester
| Molecular Formula | C9H13O4PS |
|---|---|
| Molecular Weight | 248.03 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 69.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 248.02722 |
| Heavy Atoms | 15 |
| Complexity | 228.0 |
Chemical Identifiers
| CAS Number | 6301-68-4 |
|---|---|
| SMILES | COC1=CC(=CC=C1)OP(=S)(OC)OC |
| InChIKey | KWPMMOPDFUDSJH-UHFFFAOYSA-N |
Product Overview
o-(3-Methoxyphenyl) o,o-dimethyl phosphorothioate (CAS 6301-68-4), with molecular formula C9H13O4PS and molecular weight 248.03 g/mol. IUPAC: dimethoxy-(3-methoxyphenoxy)-sulfanylidene-λ5-phosphane.
Chemical Property Profile of o-(3-Methoxyphenyl) o,o-dimethyl phosphorothioate
Property Insights of o-(3-Methoxyphenyl) o,o-dimethyl phosphorothioate
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for o-(3-Methoxyphenyl) o,o-dimethyl phosphorothioate. The TPSA of 69.0 Ų falls within the moderate polarity range, balancing permeability and solubility for o-(3-Methoxyphenyl) o,o-dimethyl phosphorothioate. Following Lipinski's Rule of Five, o-(3-Methoxyphenyl) o,o-dimethyl phosphorothioate has 0 hydrogen bond donor(s) and 5 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-(3-Methoxyphenyl) o,o-dimethyl phosphorothioate?
The CAS number of o-(3-Methoxyphenyl) o,o-dimethyl phosphorothioate is 6301-68-4.
What is the molecular formula of o-(3-Methoxyphenyl) o,o-dimethyl phosphorothioate?
The molecular formula of o-(3-Methoxyphenyl) o,o-dimethyl phosphorothioate is C9H13O4PS.
What is the molecular weight of o-(3-Methoxyphenyl) o,o-dimethyl phosphorothioate?
The molecular weight of o-(3-Methoxyphenyl) o,o-dimethyl phosphorothioate is 248.03 g/mol.
Where can I buy o-(3-Methoxyphenyl) o,o-dimethyl phosphorothioate?
You can request a quote for o-(3-Methoxyphenyl) o,o-dimethyl phosphorothioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for o-(3-Methoxyphenyl) o,o-dimethyl phosphorothioate?
Yes, KEHONG BIO provides custom synthesis services for o-(3-Methoxyphenyl) o,o-dimethyl phosphorothioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.