Phosphonic acid, ethyl-, cyclic methylene-o-phenylene ester
TL;DR: Phosphonic acid, ethyl-, cyclic methylene-o-phenylene ester (CAS 5853-68-9) is a chemical compound with molecular formula C9H11O3P and molecular weight 198.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-ethyl-4H-1,3,2λ5-benzodioxaphosphinine 2-oxide
Also Known As: 2-ethyl-4H-1,3,2, 2-Ethyl-4H-1,3,2-benzodioxaphosphorin-2-oxide, Ethylphosphonic acid cyclic methylene-o-phenylene ester, 4H-1,3,2-Benzodioxaphosphorin, 2-ethyl-, 2-oxide, Phosphonic acid, ethyl-, cyclic methylene-o-phenylene ester
| Molecular Formula | C9H11O3P |
|---|---|
| Molecular Weight | 198.04 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 198.04459 |
| Heavy Atoms | 13 |
| Complexity | 229.0 |
Chemical Identifiers
| CAS Number | 5853-68-9 |
|---|---|
| SMILES | CCP1(=O)OCC2=CC=CC=C2O1 |
| InChIKey | USAPFLLRONGKJO-UHFFFAOYSA-N |
Product Overview
Phosphonic acid, ethyl-, cyclic methylene-o-phenylene ester (CAS 5853-68-9), with molecular formula C9H11O3P and molecular weight 198.04 g/mol. IUPAC: 2-ethyl-4H-1,3,2λ5-benzodioxaphosphinine 2-oxide.
Chemical Property Profile of Phosphonic acid, ethyl-, cyclic methylene-o-phenylene ester
Property Insights of Phosphonic acid, ethyl-, cyclic methylene-o-phenylene ester
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Phosphonic acid, ethyl-, cyclic methylene-o-phenylene ester. With a topological polar surface area (TPSA) of 35.5 Ų, Phosphonic acid, ethyl-, cyclic methylene-o-phenylene ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Phosphonic acid, ethyl-, cyclic methylene-o-phenylene ester 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 Phosphonic acid, ethyl-, cyclic methylene-o-phenylene ester?
The CAS number of Phosphonic acid, ethyl-, cyclic methylene-o-phenylene ester is 5853-68-9.
What is the molecular formula of Phosphonic acid, ethyl-, cyclic methylene-o-phenylene ester?
The molecular formula of Phosphonic acid, ethyl-, cyclic methylene-o-phenylene ester is C9H11O3P.
What is the molecular weight of Phosphonic acid, ethyl-, cyclic methylene-o-phenylene ester?
The molecular weight of Phosphonic acid, ethyl-, cyclic methylene-o-phenylene ester is 198.04 g/mol.
Where can I buy Phosphonic acid, ethyl-, cyclic methylene-o-phenylene ester?
You can request a quote for Phosphonic acid, ethyl-, cyclic methylene-o-phenylene ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phosphonic acid, ethyl-, cyclic methylene-o-phenylene ester?
Yes, KEHONG BIO provides custom synthesis services for Phosphonic acid, ethyl-, cyclic methylene-o-phenylene ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.