Benzyl ethyl hydrogen phosphate
TL;DR: Benzyl ethyl hydrogen phosphate (CAS 29690-06-0) is a chemical compound with molecular formula C9H13O4P and molecular weight 216.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl ethyl hydrogen phosphate
Also Known As: benzyl ethyl hydrogen phosphate, Fosaprepitant Impurity 95, Phosphoric acid benzylethyl ester, (benzyloxy)(ethoxy)phosphinic acid, ethyl phenylmethyl hydrogen phosphate
| Molecular Formula | C9H13O4P |
|---|---|
| Molecular Weight | 216.06 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 55.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 216.05515 |
| Heavy Atoms | 14 |
| Complexity | 201.0 |
Chemical Identifiers
| CAS Number | 29690-06-0 |
|---|---|
| SMILES | CCOP(=O)(O)OCC1=CC=CC=C1 |
| InChIKey | JIYCJWDHHSPMDM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzyl ethyl hydrogen phosphate (CAS 29690-06-0), with molecular formula C9H13O4P and molecular weight 216.06 g/mol. IUPAC: benzyl ethyl hydrogen phosphate.
Chemical Property Profile of Benzyl ethyl hydrogen phosphate
Property Insights of Benzyl ethyl hydrogen phosphate
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzyl ethyl hydrogen phosphate. With a topological polar surface area (TPSA) of 55.8 Ų, Benzyl ethyl hydrogen phosphate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzyl ethyl hydrogen phosphate has 1 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 Benzyl ethyl hydrogen phosphate?
The CAS number of Benzyl ethyl hydrogen phosphate is 29690-06-0.
What is the molecular formula of Benzyl ethyl hydrogen phosphate?
The molecular formula of Benzyl ethyl hydrogen phosphate is C9H13O4P.
What is the molecular weight of Benzyl ethyl hydrogen phosphate?
The molecular weight of Benzyl ethyl hydrogen phosphate is 216.06 g/mol.
Where can I buy Benzyl ethyl hydrogen phosphate?
You can request a quote for Benzyl ethyl hydrogen phosphate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzyl ethyl hydrogen phosphate?
Yes, KEHONG BIO provides custom synthesis services for Benzyl ethyl hydrogen phosphate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.