Phosphonic acid, allyl-, 2,2-dichlorovinyl hexyl ester
TL;DR: Phosphonic acid, allyl-, 2,2-dichlorovinyl hexyl ester (CAS 631-51-6) is a chemical compound with molecular formula C11H19Cl2O3P and molecular weight 300.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[2,2-dichloroethenoxy(prop-2-enyl)phosphoryl]oxyhexane
Also Known As: Allylphosphonic acid 2,2-dichlorovinyl hexyl ester, 2,2-dichloroethenyl hexyl prop-2-en-1-ylphosphonate, Phosphonic acid, allyl-, 2,2-dichlorovinyl hexyl ester, Allylphosphonsaeure-hexyl-(2,2-dichlor-vinyl)-ester, 2,2-Dichloroethen-1-yl hexyl prop-2-en-1-ylphosphonate
| Molecular Formula | C11H19Cl2O3P |
|---|---|
| Molecular Weight | 300.04 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 10 |
| Exact Mass | 300.0449 |
| Heavy Atoms | 17 |
| Complexity | 288.0 |
Chemical Identifiers
| CAS Number | 631-51-6 |
|---|---|
| SMILES | CCCCCCOP(=O)(CC=C)OC=C(Cl)Cl |
| InChIKey | ZFAUCMGGYODIDL-UHFFFAOYSA-N |
Product Overview
Phosphonic acid, allyl-, 2,2-dichlorovinyl hexyl ester (CAS 631-51-6), with molecular formula C11H19Cl2O3P and molecular weight 300.04 g/mol. IUPAC: 1-[2,2-dichloroethenoxy(prop-2-enyl)phosphoryl]oxyhexane.
Chemical Property Profile of Phosphonic acid, allyl-, 2,2-dichlorovinyl hexyl ester
Property Insights of Phosphonic acid, allyl-, 2,2-dichlorovinyl hexyl ester
The XLogP value of 4.3 indicates that Phosphonic acid, allyl-, 2,2-dichlorovinyl hexyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.5 Ų, Phosphonic acid, allyl-, 2,2-dichlorovinyl hexyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Phosphonic acid, allyl-, 2,2-dichlorovinyl hexyl 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, allyl-, 2,2-dichlorovinyl hexyl ester?
The CAS number of Phosphonic acid, allyl-, 2,2-dichlorovinyl hexyl ester is 631-51-6.
What is the molecular formula of Phosphonic acid, allyl-, 2,2-dichlorovinyl hexyl ester?
The molecular formula of Phosphonic acid, allyl-, 2,2-dichlorovinyl hexyl ester is C11H19Cl2O3P.
What is the molecular weight of Phosphonic acid, allyl-, 2,2-dichlorovinyl hexyl ester?
The molecular weight of Phosphonic acid, allyl-, 2,2-dichlorovinyl hexyl ester is 300.04 g/mol.
Where can I buy Phosphonic acid, allyl-, 2,2-dichlorovinyl hexyl ester?
You can request a quote for Phosphonic acid, allyl-, 2,2-dichlorovinyl hexyl 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, allyl-, 2,2-dichlorovinyl hexyl ester?
Yes, KEHONG BIO provides custom synthesis services for Phosphonic acid, allyl-, 2,2-dichlorovinyl hexyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.