Dimethyl (naphthalene-1-carbonyl)phosphonate
TL;DR: Dimethyl (naphthalene-1-carbonyl)phosphonate (CAS 51463-63-9) is a chemical compound with molecular formula C13H13O4P and molecular weight 264.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethoxyphosphoryl(naphthalen-1-yl)methanone
Also Known As: Dimethyl (naphthalene-1-carbonyl)phosphonate, dimethyl (naphthylcarbonyl)phosphonate, dimethoxyphosphoryl(naphthalen-1-yl)methanone, RefChem:338422
| Molecular Formula | C13H13O4P |
|---|---|
| Molecular Weight | 264.06 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 264.05515 |
| Heavy Atoms | 18 |
| Complexity | 347.0 |
Chemical Identifiers
| CAS Number | 51463-63-9 |
|---|---|
| SMILES | COP(=O)(C(=O)C1=CC=CC2=CC=CC=C21)OC |
| InChIKey | ZPFOSYOCLQLRQL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Dimethyl (naphthalene-1-carbonyl)phosphonate (CAS 51463-63-9), with molecular formula C13H13O4P and molecular weight 264.06 g/mol. IUPAC: dimethoxyphosphoryl(naphthalen-1-yl)methanone.
Chemical Property Profile of Dimethyl (naphthalene-1-carbonyl)phosphonate
Property Insights of Dimethyl (naphthalene-1-carbonyl)phosphonate
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dimethyl (naphthalene-1-carbonyl)phosphonate. With a topological polar surface area (TPSA) of 52.6 Ų, Dimethyl (naphthalene-1-carbonyl)phosphonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Dimethyl (naphthalene-1-carbonyl)phosphonate 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 (naphthalene-1-carbonyl)phosphonate?
The CAS number of Dimethyl (naphthalene-1-carbonyl)phosphonate is 51463-63-9.
What is the molecular formula of Dimethyl (naphthalene-1-carbonyl)phosphonate?
The molecular formula of Dimethyl (naphthalene-1-carbonyl)phosphonate is C13H13O4P.
What is the molecular weight of Dimethyl (naphthalene-1-carbonyl)phosphonate?
The molecular weight of Dimethyl (naphthalene-1-carbonyl)phosphonate is 264.06 g/mol.
Where can I buy Dimethyl (naphthalene-1-carbonyl)phosphonate?
You can request a quote for Dimethyl (naphthalene-1-carbonyl)phosphonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dimethyl (naphthalene-1-carbonyl)phosphonate?
Yes, KEHONG BIO provides custom synthesis services for Dimethyl (naphthalene-1-carbonyl)phosphonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.