Phosphorothioic acid, O-(4-allyl-2-methoxyphenyl) O,O-dimethyl ester
TL;DR: Phosphorothioic acid, O-(4-allyl-2-methoxyphenyl) O,O-dimethyl ester (CAS 15037-64-6) is a chemical compound with molecular formula C12H17O4PS and molecular weight 288.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethoxy-(2-methoxy-4-prop-2-enylphenoxy)-sulfanylidene-λ5-phosphane
Also Known As: O,O-Dimethylphosphonothionate of eugenol, O-(4-Allyl-2-methoxyphenyl) O,O-dimethylphosphorothioate, Phosphorothioic acid, O-(4-allyl-2-methoxyphenyl) O,O-dimethyl ester, dimethoxy-(2-methoxy-4-prop-2-enylphenoxy)-sulfanylidene-, O-[2-Methoxy-4-(prop-2-en-1-yl)phenyl] O,O-dimethyl phosphorothioate
| Molecular Formula | C12H17O4PS |
|---|---|
| Molecular Weight | 288.06 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 69.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 288.0585 |
| Heavy Atoms | 18 |
| Complexity | 302.0 |
Chemical Identifiers
| CAS Number | 15037-64-6 |
|---|---|
| SMILES | COC1=C(C=CC(=C1)CC=C)OP(=S)(OC)OC |
| InChIKey | LQMFKTABFMOAHR-UHFFFAOYSA-N |
Product Overview
Phosphorothioic acid, O-(4-allyl-2-methoxyphenyl) O,O-dimethyl ester (CAS 15037-64-6), with molecular formula C12H17O4PS and molecular weight 288.06 g/mol. IUPAC: dimethoxy-(2-methoxy-4-prop-2-enylphenoxy)-sulfanylidene-λ5-phosphane.
Chemical Property Profile of Phosphorothioic acid, O-(4-allyl-2-methoxyphenyl) O,O-dimethyl ester
Property Insights of Phosphorothioic acid, O-(4-allyl-2-methoxyphenyl) O,O-dimethyl ester
The XLogP value of 4.1 indicates that Phosphorothioic acid, O-(4-allyl-2-methoxyphenyl) O,O-dimethyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Phosphorothioic acid, O-(4-allyl-2-methoxyphenyl) O,O-dimethyl ester. Following Lipinski's Rule of Five, Phosphorothioic acid, O-(4-allyl-2-methoxyphenyl) O,O-dimethyl ester 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 Phosphorothioic acid, O-(4-allyl-2-methoxyphenyl) O,O-dimethyl ester?
The CAS number of Phosphorothioic acid, O-(4-allyl-2-methoxyphenyl) O,O-dimethyl ester is 15037-64-6.
What is the molecular formula of Phosphorothioic acid, O-(4-allyl-2-methoxyphenyl) O,O-dimethyl ester?
The molecular formula of Phosphorothioic acid, O-(4-allyl-2-methoxyphenyl) O,O-dimethyl ester is C12H17O4PS.
What is the molecular weight of Phosphorothioic acid, O-(4-allyl-2-methoxyphenyl) O,O-dimethyl ester?
The molecular weight of Phosphorothioic acid, O-(4-allyl-2-methoxyphenyl) O,O-dimethyl ester is 288.06 g/mol.
Where can I buy Phosphorothioic acid, O-(4-allyl-2-methoxyphenyl) O,O-dimethyl ester?
You can request a quote for Phosphorothioic acid, O-(4-allyl-2-methoxyphenyl) O,O-dimethyl 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-(4-allyl-2-methoxyphenyl) O,O-dimethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Phosphorothioic acid, O-(4-allyl-2-methoxyphenyl) O,O-dimethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.