Dimethyl P-(phenylmethyl)phosphonate
TL;DR: Dimethyl P-(phenylmethyl)phosphonate (CAS 773-47-7) is a chemical compound with molecular formula C9H13O3P and molecular weight 200.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethoxyphosphorylmethylbenzene
Also Known As: Dimethyl benzylphosphonate, dimethoxyphosphorylmethylbenzene, Dimethylbenzylphosphonate, Phenylmethyl dimethyl phosphate, Benzylphosphonic acid dimethyl ester
| Molecular Formula | C9H13O3P |
|---|---|
| Molecular Weight | 200.06 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 200.06023 |
| Heavy Atoms | 13 |
| Complexity | 179.0 |
Chemical Identifiers
| CAS Number | 773-47-7 |
|---|---|
| SMILES | COP(=O)(CC1=CC=CC=C1)OC |
| InChIKey | QLNYTKJCHFEIDA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 12 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Dimethyl P-(phenylmethyl)phosphonate (CAS 773-47-7), with molecular formula C9H13O3P and molecular weight 200.06 g/mol. IUPAC: dimethoxyphosphorylmethylbenzene.
Chemical Property Profile of Dimethyl P-(phenylmethyl)phosphonate
Property Insights of Dimethyl P-(phenylmethyl)phosphonate
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dimethyl P-(phenylmethyl)phosphonate. With a topological polar surface area (TPSA) of 35.5 Ų, Dimethyl P-(phenylmethyl)phosphonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Dimethyl P-(phenylmethyl)phosphonate has 0 hydrogen bond donor(s) and 3 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 P-(phenylmethyl)phosphonate?
The CAS number of Dimethyl P-(phenylmethyl)phosphonate is 773-47-7.
What is the molecular formula of Dimethyl P-(phenylmethyl)phosphonate?
The molecular formula of Dimethyl P-(phenylmethyl)phosphonate is C9H13O3P.
What is the molecular weight of Dimethyl P-(phenylmethyl)phosphonate?
The molecular weight of Dimethyl P-(phenylmethyl)phosphonate is 200.06 g/mol.
Where can I buy Dimethyl P-(phenylmethyl)phosphonate?
You can request a quote for Dimethyl P-(phenylmethyl)phosphonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dimethyl P-(phenylmethyl)phosphonate?
Yes, KEHONG BIO provides custom synthesis services for Dimethyl P-(phenylmethyl)phosphonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.