Dimethyl 1-naphthyl phosphate
TL;DR: Dimethyl 1-naphthyl phosphate (CAS 21074-48-6) is a chemical compound with molecular formula C12H13O4P and molecular weight 252.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl naphthalen-1-yl phosphate
Also Known As: Dimethyl 1-naphthyl phosphate, dimethyl naphthalen-1-yl phosphate, 1-Naphthylphosphate dimethyl ester, Phosphoric acid dimethyl(1-naphthyl) ester, Phosphoric acid dimethyl ester naphthalen-1-yl ester
| Molecular Formula | C12H13O4P |
|---|---|
| Molecular Weight | 252.06 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 44.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 252.05515 |
| Heavy Atoms | 17 |
| Complexity | 286.0 |
Chemical Identifiers
| CAS Number | 21074-48-6 |
|---|---|
| SMILES | COP(=O)(OC)OC1=CC=CC2=CC=CC=C21 |
| InChIKey | OYPGIQMYQJUAEM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Dimethyl 1-naphthyl phosphate (CAS 21074-48-6), with molecular formula C12H13O4P and molecular weight 252.06 g/mol. IUPAC: dimethyl naphthalen-1-yl phosphate.
Chemical Property Profile of Dimethyl 1-naphthyl phosphate
Property Insights of Dimethyl 1-naphthyl phosphate
The XLogP value of 3.1 indicates that Dimethyl 1-naphthyl phosphate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 44.8 Ų, Dimethyl 1-naphthyl phosphate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Dimethyl 1-naphthyl phosphate 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 Dimethyl 1-naphthyl phosphate?
The CAS number of Dimethyl 1-naphthyl phosphate is 21074-48-6.
What is the molecular formula of Dimethyl 1-naphthyl phosphate?
The molecular formula of Dimethyl 1-naphthyl phosphate is C12H13O4P.
What is the molecular weight of Dimethyl 1-naphthyl phosphate?
The molecular weight of Dimethyl 1-naphthyl phosphate is 252.06 g/mol.
Where can I buy Dimethyl 1-naphthyl phosphate?
You can request a quote for Dimethyl 1-naphthyl phosphate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dimethyl 1-naphthyl phosphate?
Yes, KEHONG BIO provides custom synthesis services for Dimethyl 1-naphthyl phosphate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.