Phosphorothioic acid, O,O-dimethyl O-2-naphthalenyl ester
TL;DR: Phosphorothioic acid, O,O-dimethyl O-2-naphthalenyl ester (CAS 63568-30-9) is a chemical compound with molecular formula C12H13O3PS and molecular weight 268.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethoxy-naphthalen-2-yloxy-sulfanylidene-λ5-phosphane
Also Known As: Taurolithocholic acid 3-sulfate, Phosphorothioic acid, O,O-dimethyl O-2-naphthalenyl ester, dimethoxy-naphthalen-2-yloxy-sulfanylidene-, o,o-dimethyl o-naphthalen-2-yl phosphorothioate, O,O-Dimethyl O-(naphthalen-2-yl) phosphorothioate
| Molecular Formula | C12H13O3PS |
|---|---|
| Molecular Weight | 268.03 g/mol |
| LogP | 4.6 |
| Topological Polar Surface Area | 59.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 268.0323 |
| Heavy Atoms | 17 |
| Complexity | 289.0 |
Chemical Identifiers
| CAS Number | 63568-30-9 |
|---|---|
| SMILES | COP(=S)(OC)OC1=CC2=CC=CC=C2C=C1 |
| InChIKey | ONVNTTKHJBXLET-UHFFFAOYSA-N |
Product Overview
Phosphorothioic acid, O,O-dimethyl O-2-naphthalenyl ester (CAS 63568-30-9), with molecular formula C12H13O3PS and molecular weight 268.03 g/mol. IUPAC: dimethoxy-naphthalen-2-yloxy-sulfanylidene-λ5-phosphane.
Chemical Property Profile of Phosphorothioic acid, O,O-dimethyl O-2-naphthalenyl ester
Property Insights of Phosphorothioic acid, O,O-dimethyl O-2-naphthalenyl ester
The XLogP value of 4.6 indicates that Phosphorothioic acid, O,O-dimethyl O-2-naphthalenyl 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-dimethyl O-2-naphthalenyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Phosphorothioic acid, O,O-dimethyl O-2-naphthalenyl 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-dimethyl O-2-naphthalenyl ester?
The CAS number of Phosphorothioic acid, O,O-dimethyl O-2-naphthalenyl ester is 63568-30-9.
What is the molecular formula of Phosphorothioic acid, O,O-dimethyl O-2-naphthalenyl ester?
The molecular formula of Phosphorothioic acid, O,O-dimethyl O-2-naphthalenyl ester is C12H13O3PS.
What is the molecular weight of Phosphorothioic acid, O,O-dimethyl O-2-naphthalenyl ester?
The molecular weight of Phosphorothioic acid, O,O-dimethyl O-2-naphthalenyl ester is 268.03 g/mol.
Where can I buy Phosphorothioic acid, O,O-dimethyl O-2-naphthalenyl ester?
You can request a quote for Phosphorothioic acid, O,O-dimethyl O-2-naphthalenyl 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-dimethyl O-2-naphthalenyl ester?
Yes, KEHONG BIO provides custom synthesis services for Phosphorothioic acid, O,O-dimethyl O-2-naphthalenyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.