Phosphonic acid, P-ethenyl-, bis(2-chloroethyl) ester
TL;DR: Phosphonic acid, P-ethenyl-, bis(2-chloroethyl) ester (CAS 115-98-0) is a chemical compound with molecular formula C6H11Cl2O3P and molecular weight 231.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-chloro-2-[2-chloroethoxy(ethenyl)phosphoryl]oxyethane
Also Known As: Vinifos, Fyrol BB, Bis(2-chloroethyl) vinylphosphonate, Fyrol Bis beta, Vinyate R
| Molecular Formula | C6H11Cl2O3P |
|---|---|
| Molecular Weight | 231.98 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 231.98228 |
| Heavy Atoms | 12 |
| Complexity | 162.0 |
Chemical Identifiers
| CAS Number | 115-98-0 |
|---|---|
| SMILES | C=CP(=O)(OCCCl)OCCCl |
| InChIKey | LHHMNJZNWUJFOC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 18 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Phosphonic acid, P-ethenyl-, bis(2-chloroethyl) ester (CAS 115-98-0), with molecular formula C6H11Cl2O3P and molecular weight 231.98 g/mol. IUPAC: 1-chloro-2-[2-chloroethoxy(ethenyl)phosphoryl]oxyethane.
Chemical Property Profile of Phosphonic acid, P-ethenyl-, bis(2-chloroethyl) ester
Property Insights of Phosphonic acid, P-ethenyl-, bis(2-chloroethyl) ester
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Phosphonic acid, P-ethenyl-, bis(2-chloroethyl) ester. With a topological polar surface area (TPSA) of 35.5 Ų, Phosphonic acid, P-ethenyl-, bis(2-chloroethyl) ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Phosphonic acid, P-ethenyl-, bis(2-chloroethyl) 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, P-ethenyl-, bis(2-chloroethyl) ester?
The CAS number of Phosphonic acid, P-ethenyl-, bis(2-chloroethyl) ester is 115-98-0.
What is the molecular formula of Phosphonic acid, P-ethenyl-, bis(2-chloroethyl) ester?
The molecular formula of Phosphonic acid, P-ethenyl-, bis(2-chloroethyl) ester is C6H11Cl2O3P.
What is the molecular weight of Phosphonic acid, P-ethenyl-, bis(2-chloroethyl) ester?
The molecular weight of Phosphonic acid, P-ethenyl-, bis(2-chloroethyl) ester is 231.98 g/mol.
Where can I buy Phosphonic acid, P-ethenyl-, bis(2-chloroethyl) ester?
You can request a quote for Phosphonic acid, P-ethenyl-, bis(2-chloroethyl) 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, P-ethenyl-, bis(2-chloroethyl) ester?
Yes, KEHONG BIO provides custom synthesis services for Phosphonic acid, P-ethenyl-, bis(2-chloroethyl) ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.